7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C18H25N5O2 — CID 118746445

IUPAC7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOc1ncccc1CN1Cc2nnn(C)c2C(COCC2CC2)C1
InChIInChI=1S/C18H25N5O2/c1-22-17-15(12-25-11-13-5-6-13)9-23(10-16(17)20-21-22)8-14-4-3-7-19-18(14)24-2/h3-4,7,13,15H,5-6,8-12H2,1-2H3
InChIKeyKHHNETMYQYLKEJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.74
Rot. Bonds7

About 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine

7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 118746445) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID118746445
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOc1ncccc1CN1Cc2nnn(C)c2C(COCC2CC2)C1
InChIInChI=1S/C18H25N5O2/c1-22-17-15(12-25-11-13-5-6-13)9-23(10-16(17)20-21-22)8-14-4-3-7-19-18(14)24-2/h3-4,7,13,15H,5-6,8-12H2,1-2H3
InChIKeyKHHNETMYQYLKEJ-UHFFFAOYSA-N
XLogP1.74
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine with MolForge

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Related Compounds

(3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70675109
(2S,6S)-10-(2-fluorophenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86295354
(2R,6R)-10-(2-fluorophenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86295356
(2R,6R)-10-(3-fluorophenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 168276410
US11491140, Example 180
CID 166594432
US10227327, Example 3
CID 117995744
US11535611, Example 61
CID 142608463
US11535611, Example 15
CID 142608493
(2S)-2-[4-(6-methoxypyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-methylpentan-1-ol
CID 72837609
1-{2-[4-(6-methoxypyridin-3-yl)-1H-1,2,3-triazol-1-yl]ethyl}-4,6-dimethylpyrimidin-2(1H)-one
CID 72880002
5-(cyclopropylmethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405729
2-[(4aR,7aS)-6-[(2-methoxy-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylethanamine
CID 97508959

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 118746445) is 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine is COc1ncccc1CN1Cc2nnn(C)c2C(COCC2CC2)C1.
What is the InChIKey of 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is KHHNETMYQYLKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22-17-15(12-25-11-13-5-6-13)9-23(10-16(17)20-21-22)8-14-4-3-7-19-18(14)24-2/h3-4,7,13,15H,5-6,8-12H2,1-2H3.
What are the key properties of 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 343.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 118746445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).