2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine

C16H29N5O — CID 97383515

IUPAC2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine
SMILESCCn1nnc2c1[C@H](COCCN(C)C)CN(CC1CC1)C2
InChIInChI=1S/C16H29N5O/c1-4-21-16-14(12-22-8-7-19(2)3)10-20(9-13-5-6-13)11-15(16)17-18-21/h13-14H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyPBCYHRRBGBOFSI-AWEZNQCLSA-N
MW307.44 g/mol
LogP1.19
Rot. Bonds8

About 2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine

2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine (PubChem CID 97383515) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine
PubChem CID97383515
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine
SMILESCCn1nnc2c1[C@H](COCCN(C)C)CN(CC1CC1)C2
InChIInChI=1S/C16H29N5O/c1-4-21-16-14(12-22-8-7-19(2)3)10-20(9-13-5-6-13)11-15(16)17-18-21/h13-14H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyPBCYHRRBGBOFSI-AWEZNQCLSA-N
XLogP1.19
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylethanamine
CID 118742846
2-[[(7S)-1-ethyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine
CID 97383492
2-[[1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155838206
2-[[(7S)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
CID 97406240
N,N-dimethyl-2-[[(7R)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
CID 97383300
N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
CID 97383301
5-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 118744440
2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
CID 131652679
5-(cyclopropylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131662945
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide
CID 155873805
(7R)-1,5-bis(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382972
5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131642797

Frequently Asked Questions

What is the IUPAC name of 2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine (CID 97383515) is 2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine is CCn1nnc2c1[C@H](COCCN(C)C)CN(CC1CC1)C2.
What is the InChIKey of 2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine?
The InChIKey is PBCYHRRBGBOFSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H29N5O/c1-4-21-16-14(12-22-8-7-19(2)3)10-20(9-13-5-6-13)11-15(16)17-18-21/h13-14H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine?
2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine has a molecular weight of 307.44 g/mol, XLogP of 1.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7R)-5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 97383515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).