6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine

C12H17N5O — CID 75509458

IUPAC6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine
SMILESCOc1ccc(NC(C)CCn2cncn2)cn1
InChIInChI=1S/C12H17N5O/c1-10(5-6-17-9-13-8-15-17)16-11-3-4-12(18-2)14-7-11/h3-4,7-10,16H,5-6H2,1-2H3
InChIKeyXRNCYQLGWKFBOR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.57
Rot. Bonds6

About 6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine

6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine (PubChem CID 75509458) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine
PubChem CID75509458
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine
SMILESCOc1ccc(NC(C)CCn2cncn2)cn1
InChIInChI=1S/C12H17N5O/c1-10(5-6-17-9-13-8-15-17)16-11-3-4-12(18-2)14-7-11/h3-4,7-10,16H,5-6H2,1-2H3
InChIKeyXRNCYQLGWKFBOR-UHFFFAOYSA-N
XLogP1.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine (CID 75509458) is 6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine is COc1ccc(NC(C)CCn2cncn2)cn1.
What is the InChIKey of 6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine?
The InChIKey is XRNCYQLGWKFBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-10(5-6-17-9-13-8-15-17)16-11-3-4-12(18-2)14-7-11/h3-4,7-10,16H,5-6H2,1-2H3.
What are the key properties of 6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine?
6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine has a molecular weight of 247.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine is sourced from PubChem (CID 75509458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).