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

C10H13N5 — CID 106283037

IUPAC2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
SMILESCc1cc(NC(C)c2ncn[nH]2)ccn1
InChIInChI=1S/C10H13N5/c1-7-5-9(3-4-11-7)14-8(2)10-12-6-13-15-10/h3-6,8H,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyGRFWWEYCGMGGPA-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.68
Rot. Bonds3

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

2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine (PubChem CID 106283037) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
PubChem CID106283037
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
SMILESCc1cc(NC(C)c2ncn[nH]2)ccn1
InChIInChI=1S/C10H13N5/c1-7-5-9(3-4-11-7)14-8(2)10-12-6-13-15-10/h3-6,8H,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyGRFWWEYCGMGGPA-UHFFFAOYSA-N
XLogP1.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine (CID 106283037) is 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine is Cc1cc(NC(C)c2ncn[nH]2)ccn1.
What is the InChIKey of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
The InChIKey is GRFWWEYCGMGGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-7-5-9(3-4-11-7)14-8(2)10-12-6-13-15-10/h3-6,8H,1-2H3,(H,11,14)(H,12,13,15).
What are the key properties of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine has a molecular weight of 203.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 106283037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).