1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride

C6H9Cl2N5 — CID 167739027

IUPAC1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride
SMILESCl.Cl.Cn1nnc2cncc(N)c21
InChIInChI=1S/C6H7N5.2ClH/c1-11-6-4(7)2-8-3-5(6)9-10-11;;/h2-3H,7H2,1H3;2*1H
InChIKeyNPWXNWVITBLYMG-UHFFFAOYSA-N
MW222.08 g/mol
LogP0.79
Rot. Bonds

About 1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride

1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride (PubChem CID 167739027) has the molecular formula C6H9Cl2N5 and a molecular weight of 222.08 g/mol. Its IUPAC name is 1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride.

Molecular Properties

Compound Name1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride
PubChem CID167739027
Molecular FormulaC6H9Cl2N5
Molecular Weight222.08 g/mol
Exact Mass221.02
IUPAC Name1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride
SMILESCl.Cl.Cn1nnc2cncc(N)c21
InChIInChI=1S/C6H7N5.2ClH/c1-11-6-4(7)2-8-3-5(6)9-10-11;;/h2-3H,7H2,1H3;2*1H
InChIKeyNPWXNWVITBLYMG-UHFFFAOYSA-N
XLogP0.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-methyltriazolo[4,5-c]pyridine
CID 142555697
3-methyltriazolo[4,5-b]pyridin-6-amine
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7-bromo-1-butyltriazolo[4,5-c]pyridine
CID 112757295
3-methylbenzotriazole-4-carboxamide
CID 130625825
5-tert-butyl-7-fluoro-1-methylbenzotriazole
CID 177117320
5-chloro-1-methylpyrazol-4-amine;dihydrochloride
CID 122164434
4-(3-methyltriazol-4-yl)pyridin-3-amine
CID 90205469
4-chloropyridine-3,5-diamine
CID 46856283
1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine
CID 117328812
5,6-diiodo-1-methylbenzotriazole
CID 134294862
CID 68739763
CID 68739763
1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole
CID 59246644

Frequently Asked Questions

What is the IUPAC name of 1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride?
The IUPAC name of 1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride (CID 167739027) is 1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride.
What is the SMILES notation for 1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride?
The canonical SMILES for 1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride is Cl.Cl.Cn1nnc2cncc(N)c21.
What is the InChIKey of 1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride?
The InChIKey is NPWXNWVITBLYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5.2ClH/c1-11-6-4(7)2-8-3-5(6)9-10-11;;/h2-3H,7H2,1H3;2*1H.
What are the key properties of 1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride?
1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride has a molecular weight of 222.08 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride is sourced from PubChem (CID 167739027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).