5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine

C10H12ClN5 — CID 165417293

IUPAC5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCC(C)n1cc(Nc2ccc(Cl)cn2)nn1
InChIInChI=1S/C10H12ClN5/c1-7(2)16-6-10(14-15-16)13-9-4-3-8(11)5-12-9/h3-7H,1-2H3,(H,12,13)
InChIKeyXNODAPJYDLWVSK-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.65
Rot. Bonds3

About 5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine

5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (PubChem CID 165417293) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
PubChem CID165417293
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCC(C)n1cc(Nc2ccc(Cl)cn2)nn1
InChIInChI=1S/C10H12ClN5/c1-7(2)16-6-10(14-15-16)13-9-4-3-8(11)5-12-9/h3-7H,1-2H3,(H,12,13)
InChIKeyXNODAPJYDLWVSK-UHFFFAOYSA-N
XLogP2.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (CID 165417293) is 5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is CC(C)n1cc(Nc2ccc(Cl)cn2)nn1.
What is the InChIKey of 5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The InChIKey is XNODAPJYDLWVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-7(2)16-6-10(14-15-16)13-9-4-3-8(11)5-12-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of 5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 165417293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).