(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine

C9H10ClN5 — CID 103443748

IUPAC(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1ncccc1Cl
InChIInChI=1S/C9H10ClN5/c1-15-7(5-13-14-15)8(11)9-6(10)3-2-4-12-9/h2-5,8H,11H2,1H3
InChIKeyXGIKMPDFBFYCET-UHFFFAOYSA-N
MW223.67 g/mol
LogP0.91
Rot. Bonds2

About (3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine

(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine (PubChem CID 103443748) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
PubChem CID103443748
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1ncccc1Cl
InChIInChI=1S/C9H10ClN5/c1-15-7(5-13-14-15)8(11)9-6(10)3-2-4-12-9/h2-5,8H,11H2,1H3
InChIKeyXGIKMPDFBFYCET-UHFFFAOYSA-N
XLogP0.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 103443749
N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 103444423
[(3-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105209169
(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 103128231
(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 103443925
N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 103444424
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
CID 114685420
(3-chloro-2-pyridinyl)-pyrimidin-5-ylmethanamine
CID 103443848
(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 107969143
1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine
CID 114688680

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of (3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine (CID 103443748) is (3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine is Cn1nncc1C(N)c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine?
The InChIKey is XGIKMPDFBFYCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-15-7(5-13-14-15)8(11)9-6(10)3-2-4-12-9/h2-5,8H,11H2,1H3.
What are the key properties of (3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine?
(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine has a molecular weight of 223.67 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 103443748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).