N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine

C12H18N6O — CID 106303319

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2nncn2CC)ncn1
InChIInChI=1S/C12H18N6O/c1-3-5-19-12-6-10(14-8-15-12)13-7-11-17-16-9-18(11)4-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyQPLYCFAWIRBVKF-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.49
Rot. Bonds7

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine (PubChem CID 106303319) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
PubChem CID106303319
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2nncn2CC)ncn1
InChIInChI=1S/C12H18N6O/c1-3-5-19-12-6-10(14-8-15-12)13-7-11-17-16-9-18(11)4-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyQPLYCFAWIRBVKF-UHFFFAOYSA-N
XLogP1.49
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine (CID 106303319) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NCc2nncn2CC)ncn1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine?
The InChIKey is QPLYCFAWIRBVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-5-19-12-6-10(14-8-15-12)13-7-11-17-16-9-18(11)4-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine has a molecular weight of 262.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 106303319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).