3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

C9H10ClN5 — CID 106282806

IUPAC3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ncccc1Cl)c1ncn[nH]1
InChIInChI=1S/C9H10ClN5/c1-6(8-12-5-13-15-8)14-9-7(10)3-2-4-11-9/h2-6H,1H3,(H,11,14)(H,12,13,15)
InChIKeyKYUMOYUNLSRNLB-UHFFFAOYSA-N
MW223.67 g/mol
LogP2.03
Rot. Bonds3

About 3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 106282806) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
PubChem CID106282806
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ncccc1Cl)c1ncn[nH]1
InChIInChI=1S/C9H10ClN5/c1-6(8-12-5-13-15-8)14-9-7(10)3-2-4-11-9/h2-6H,1H3,(H,11,14)(H,12,13,15)
InChIKeyKYUMOYUNLSRNLB-UHFFFAOYSA-N
XLogP2.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 102975953
3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282963
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
CID 60701648
3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
CID 60701697
3-chloro-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 103886344
(E)-3-(2,6-dichlorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 103716201
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
CID 115689385
4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 114168046
1-(2-chloro-3-pyridinyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97158665

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (CID 106282806) is 3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is CC(Nc1ncccc1Cl)c1ncn[nH]1.
What is the InChIKey of 3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is KYUMOYUNLSRNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-6(8-12-5-13-15-8)14-9-7(10)3-2-4-11-9/h2-6H,1H3,(H,11,14)(H,12,13,15).
What are the key properties of 3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 223.67 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106282806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).