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

C14H25N5 — CID 117154173

IUPAC2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)N1CCCC1Cc1nc2n(n1)CC(N)CC2
InChIInChI=1S/C14H25N5/c1-10(2)18-7-3-4-12(18)8-13-16-14-6-5-11(15)9-19(14)17-13/h10-12H,3-9,15H2,1-2H3
InChIKeyOWQJDAISFQLJNK-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.97
Rot. Bonds3

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

2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 117154173) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID117154173
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)N1CCCC1Cc1nc2n(n1)CC(N)CC2
InChIInChI=1S/C14H25N5/c1-10(2)18-7-3-4-12(18)8-13-16-14-6-5-11(15)9-19(14)17-13/h10-12H,3-9,15H2,1-2H3
InChIKeyOWQJDAISFQLJNK-UHFFFAOYSA-N
XLogP0.97
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 117154173) is 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CC(C)N1CCCC1Cc1nc2n(n1)CC(N)CC2.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is OWQJDAISFQLJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10(2)18-7-3-4-12(18)8-13-16-14-6-5-11(15)9-19(14)17-13/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 263.39 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 117154173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).