3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine

C9H10ClN5 — CID 103883635

IUPAC3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine
SMILESCn1cnc(CNc2ccncc2Cl)n1
InChIInChI=1S/C9H10ClN5/c1-15-6-13-9(14-15)5-12-8-2-3-11-4-7(8)10/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyZOOMRUHBMRGHOK-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.48
Rot. Bonds3

About 3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine

3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine (PubChem CID 103883635) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine
PubChem CID103883635
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine
SMILESCn1cnc(CNc2ccncc2Cl)n1
InChIInChI=1S/C9H10ClN5/c1-15-6-13-9(14-15)5-12-8-2-3-11-4-7(8)10/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyZOOMRUHBMRGHOK-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
CID 103883678
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 79839877
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
4-chloro-5-fluoro-1-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,2-diamine
CID 114124749
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 79841586
1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306332
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine
CID 79839873
3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine
CID 79839401
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine
CID 79840711
3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine (CID 103883635) is 3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine is Cn1cnc(CNc2ccncc2Cl)n1.
What is the InChIKey of 3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine?
The InChIKey is ZOOMRUHBMRGHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-15-6-13-9(14-15)5-12-8-2-3-11-4-7(8)10/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of 3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine?
3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine has a molecular weight of 223.67 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 103883635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).