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

C10H12ClN5 — CID 63330325

IUPAC3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCn1cnnc1CCNc1ncccc1Cl
InChIInChI=1S/C10H12ClN5/c1-16-7-14-15-9(16)4-6-13-10-8(11)3-2-5-12-10/h2-3,5,7H,4,6H2,1H3,(H,12,13)
InChIKeyKCCGEHUXXGBFQP-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.52
Rot. Bonds4

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

3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 63330325) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
PubChem CID63330325
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCn1cnnc1CCNc1ncccc1Cl
InChIInChI=1S/C10H12ClN5/c1-16-7-14-15-9(16)4-6-13-10-8(11)3-2-5-12-10/h2-3,5,7H,4,6H2,1H3,(H,12,13)
InChIKeyKCCGEHUXXGBFQP-UHFFFAOYSA-N
XLogP1.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329248
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 102824217
5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80758192
4-chloro-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 66366338
(E)-3-(2-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]but-2-enamide
CID 98520243
1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one
CID 63330276
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purin-6-amine
CID 104697689
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyridin-5-amine
CID 102625611
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
N-[2-(4-aminophenyl)ethyl]-3-chloropyridin-2-amine
CID 61220420
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (CID 63330325) is 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is Cn1cnnc1CCNc1ncccc1Cl.
What is the InChIKey of 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is KCCGEHUXXGBFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-16-7-14-15-9(16)4-6-13-10-8(11)3-2-5-12-10/h2-3,5,7H,4,6H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 63330325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).