N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine

C9H11N5S — CID 62467300

IUPACN-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1cc(CSc2ncn[nH]2)ccn1
InChIInChI=1S/C9H11N5S/c1-10-8-4-7(2-3-11-8)5-15-9-12-6-13-14-9/h2-4,6H,5H2,1H3,(H,10,11)(H,12,13,14)
InChIKeyCGZWWKQPBLCJQL-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine

N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 62467300) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
PubChem CID62467300
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC NameN-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1cc(CSc2ncn[nH]2)ccn1
InChIInChI=1S/C9H11N5S/c1-10-8-4-7(2-3-11-8)5-15-9-12-6-13-14-9/h2-4,6H,5H2,1H3,(H,10,11)(H,12,13,14)
InChIKeyCGZWWKQPBLCJQL-UHFFFAOYSA-N
XLogP1.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine (CID 62467300) is N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine is CNc1cc(CSc2ncn[nH]2)ccn1.
What is the InChIKey of N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is CGZWWKQPBLCJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-10-8-4-7(2-3-11-8)5-15-9-12-6-13-14-9/h2-4,6H,5H2,1H3,(H,10,11)(H,12,13,14).
What are the key properties of N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine?
N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 221.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 62467300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).