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

C14H20N6O — CID 80684692

IUPAC6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine
SMILESCn1cnc(CCNc2ccc(N)c(OCC3CC3)n2)n1
InChIInChI=1S/C14H20N6O/c1-20-9-17-13(19-20)6-7-16-12-5-4-11(15)14(18-12)21-8-10-2-3-10/h4-5,9-10H,2-3,6-8,15H2,1H3,(H,16,18)
InChIKeyPGUCCEGLXZMPLA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.24
Rot. Bonds7

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

6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine (PubChem CID 80684692) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine
PubChem CID80684692
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine
SMILESCn1cnc(CCNc2ccc(N)c(OCC3CC3)n2)n1
InChIInChI=1S/C14H20N6O/c1-20-9-17-13(19-20)6-7-16-12-5-4-11(15)14(18-12)21-8-10-2-3-10/h4-5,9-10H,2-3,6-8,15H2,1H3,(H,16,18)
InChIKeyPGUCCEGLXZMPLA-UHFFFAOYSA-N
XLogP1.24
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.24
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-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine (CID 80684692) is 6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine is Cn1cnc(CCNc2ccc(N)c(OCC3CC3)n2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is PGUCCEGLXZMPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-20-9-17-13(19-20)6-7-16-12-5-4-11(15)14(18-12)21-8-10-2-3-10/h4-5,9-10H,2-3,6-8,15H2,1H3,(H,16,18).
What are the key properties of 6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine?
6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 288.35 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 80684692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).