(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C17H23N5O — CID 97383196

IUPAC(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccccn1
InChIInChI=1S/C17H23N5O/c1-23-12-16-17-15(22(20-19-17)10-13-5-6-13)7-9-21(16)11-14-4-2-3-8-18-14/h2-4,8,13,16H,5-7,9-12H2,1H3/t16-/m1/s1
InChIKeyNRQFPECRYAYKHK-MRXNPFEDSA-N
MW313.40 g/mol
LogP1.83
Rot. Bonds6

About (4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 97383196) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID97383196
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccccn1
InChIInChI=1S/C17H23N5O/c1-23-12-16-17-15(22(20-19-17)10-13-5-6-13)7-9-21(16)11-14-4-2-3-8-18-14/h2-4,8,13,16H,5-7,9-12H2,1H3/t16-/m1/s1
InChIKeyNRQFPECRYAYKHK-MRXNPFEDSA-N
XLogP1.83
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 131658939
3-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
CID 131660751
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383189
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383191
1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131659963
[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118739257
1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone
CID 131649970
(4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368867
1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131653338
(4R)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-prop-2-enyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368880
(4S)-5-cyclobutyl-1-(cyclopropylmethyl)-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368898
[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 118739252

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of (4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 97383196) is (4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for (4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for (4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccccn1.
What is the InChIKey of (4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is NRQFPECRYAYKHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N5O/c1-23-12-16-17-15(22(20-19-17)10-13-5-6-13)7-9-21(16)11-14-4-2-3-8-18-14/h2-4,8,13,16H,5-7,9-12H2,1H3/t16-/m1/s1.
What are the key properties of (4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 313.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 97383196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).