N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine

C10H13N5 — CID 61224894

IUPACN-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
SMILESCCNc1ccc(Cn2cncn2)cn1
InChIInChI=1S/C10H13N5/c1-2-12-10-4-3-9(5-13-10)6-15-8-11-7-14-15/h3-5,7-8H,2,6H2,1H3,(H,12,13)
InChIKeyNEWFFBAHWCBPFV-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.15
Rot. Bonds4

About N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine

N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine (PubChem CID 61224894) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
PubChem CID61224894
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
SMILESCCNc1ccc(Cn2cncn2)cn1
InChIInChI=1S/C10H13N5/c1-2-12-10-4-3-9(5-13-10)6-15-8-11-7-14-15/h3-5,7-8H,2,6H2,1H3,(H,12,13)
InChIKeyNEWFFBAHWCBPFV-UHFFFAOYSA-N
XLogP1.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine (CID 61224894) is N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine is CCNc1ccc(Cn2cncn2)cn1.
What is the InChIKey of N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
The InChIKey is NEWFFBAHWCBPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-12-10-4-3-9(5-13-10)6-15-8-11-7-14-15/h3-5,7-8H,2,6H2,1H3,(H,12,13).
What are the key properties of N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 61224894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).