6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine

C14H20N6O — CID 62116942

IUPAC6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine
SMILESCC(Nc1ccc(N)c(OCC2CC2)n1)c1nncn1C
InChIInChI=1S/C14H20N6O/c1-9(13-19-16-8-20(13)2)17-12-6-5-11(15)14(18-12)21-7-10-3-4-10/h5-6,8-10H,3-4,7,15H2,1-2H3,(H,17,18)
InChIKeySMDASSDJTYZYDC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.75
Rot. Bonds6

About 6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine

6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine (PubChem CID 62116942) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine
PubChem CID62116942
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine
SMILESCC(Nc1ccc(N)c(OCC2CC2)n1)c1nncn1C
InChIInChI=1S/C14H20N6O/c1-9(13-19-16-8-20(13)2)17-12-6-5-11(15)14(18-12)21-7-10-3-4-10/h5-6,8-10H,3-4,7,15H2,1-2H3,(H,17,18)
InChIKeySMDASSDJTYZYDC-UHFFFAOYSA-N
XLogP1.75
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine (CID 62116942) is 6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine is CC(Nc1ccc(N)c(OCC2CC2)n1)c1nncn1C.
What is the InChIKey of 6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is SMDASSDJTYZYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9(13-19-16-8-20(13)2)17-12-6-5-11(15)14(18-12)21-7-10-3-4-10/h5-6,8-10H,3-4,7,15H2,1-2H3,(H,17,18).
What are the key properties of 6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine?
6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 288.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 62116942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).