(3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine

C9H13N5 — CID 84663398

IUPAC(3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine
SMILESCC(C)n1nnc2c(CN)ccnc21
InChIInChI=1S/C9H13N5/c1-6(2)14-9-8(12-13-14)7(5-10)3-4-11-9/h3-4,6H,5,10H2,1-2H3
InChIKeyYXEYRMBSBHWVQT-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.87
Rot. Bonds2

About (3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine

(3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine (PubChem CID 84663398) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is (3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine.

Molecular Properties

Compound Name(3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine
PubChem CID84663398
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name(3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine
SMILESCC(C)n1nnc2c(CN)ccnc21
InChIInChI=1S/C9H13N5/c1-6(2)14-9-8(12-13-14)7(5-10)3-4-11-9/h3-4,6H,5,10H2,1-2H3
InChIKeyYXEYRMBSBHWVQT-UHFFFAOYSA-N
XLogP0.87
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentan-3-yl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 138052887
7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 84665578
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 107055721
4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 107055104
[5-(phenoxymethyl)-1-propan-2-yltriazol-4-yl]methanamine
CID 82207066
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416663
3-propan-2-yltriazolo[4,5-d]pyrimidine
CID 57472339
4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine
CID 115069507
[5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine
CID 82207058
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol
CID 107055329
3-propan-2-yltriazolo[4,5-b]pyridin-6-amine
CID 67036369
(5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine
CID 115012224

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine?
The IUPAC name of (3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine (CID 84663398) is (3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine.
What is the SMILES notation for (3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine?
The canonical SMILES for (3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine is CC(C)n1nnc2c(CN)ccnc21.
What is the InChIKey of (3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine?
The InChIKey is YXEYRMBSBHWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6(2)14-9-8(12-13-14)7(5-10)3-4-11-9/h3-4,6H,5,10H2,1-2H3.
What are the key properties of (3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine?
(3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine has a molecular weight of 191.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine is sourced from PubChem (CID 84663398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).