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

C10H13N5O — CID 106283004

IUPAC6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESCOc1cccc(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C10H13N5O/c1-7(10-11-6-12-15-10)13-8-4-3-5-9(14-8)16-2/h3-7H,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyIHEFCVQRVADAHA-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.38
Rot. Bonds4

About 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 106283004) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
PubChem CID106283004
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESCOc1cccc(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C10H13N5O/c1-7(10-11-6-12-15-10)13-8-4-3-5-9(14-8)16-2/h3-7H,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyIHEFCVQRVADAHA-UHFFFAOYSA-N
XLogP1.38
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (CID 106283004) is 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is COc1cccc(NC(C)c2ncn[nH]2)n1.
What is the InChIKey of 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is IHEFCVQRVADAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7(10-11-6-12-15-10)13-8-4-3-5-9(14-8)16-2/h3-7H,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 219.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106283004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).