1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine

C10H14N6 — CID 81057612

IUPAC1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine
SMILESCn1ncc(-c2nnc3n2CCCC3)c1N
InChIInChI=1S/C10H14N6/c1-15-9(11)7(6-12-15)10-14-13-8-4-2-3-5-16(8)10/h6H,2-5,11H2,1H3
InChIKeyRONSKPGBGAXRAU-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.60
Rot. Bonds1

About 1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine

1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine (PubChem CID 81057612) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine
PubChem CID81057612
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine
SMILESCn1ncc(-c2nnc3n2CCCC3)c1N
InChIInChI=1S/C10H14N6/c1-15-9(11)7(6-12-15)10-14-13-8-4-2-3-5-16(8)10/h6H,2-5,11H2,1H3
InChIKeyRONSKPGBGAXRAU-UHFFFAOYSA-N
XLogP0.60
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
CID 63652461
4-iodo-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 81056962
3-(2-fluoro-5-methylphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 118330647
3-(1-ethyl-3-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 138379423
2-(5-amino-1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117397009
3-(1-methylpyrrol-2-yl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 139021513
3-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140603851
5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,4-difluoroaniline
CID 60836557
ethane;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 143209062
2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117360393
4,5-dimethyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)thiophen-2-amine
CID 43142823
5-chloro-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)aniline
CID 43142805

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine (CID 81057612) is 1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine is Cn1ncc(-c2nnc3n2CCCC3)c1N.
What is the InChIKey of 1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine?
The InChIKey is RONSKPGBGAXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-15-9(11)7(6-12-15)10-14-13-8-4-2-3-5-16(8)10/h6H,2-5,11H2,1H3.
What are the key properties of 1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine?
1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine has a molecular weight of 218.26 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-5-amine is sourced from PubChem (CID 81057612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).