4-(1-ethyltriazol-4-yl)pyrimidin-2-amine

C8H10N6 — CID 137487091

IUPAC4-(1-ethyltriazol-4-yl)pyrimidin-2-amine
SMILESCCn1cc(-c2ccnc(N)n2)nn1
InChIInChI=1S/C8H10N6/c1-2-14-5-7(12-13-14)6-3-4-10-8(9)11-6/h3-5H,2H2,1H3,(H2,9,10,11)
InChIKeyOKHNHTFSLRAGGG-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.34
Rot. Bonds2

About 4-(1-ethyltriazol-4-yl)pyrimidin-2-amine

4-(1-ethyltriazol-4-yl)pyrimidin-2-amine (PubChem CID 137487091) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-(1-ethyltriazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-ethyltriazol-4-yl)pyrimidin-2-amine
PubChem CID137487091
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name4-(1-ethyltriazol-4-yl)pyrimidin-2-amine
SMILESCCn1cc(-c2ccnc(N)n2)nn1
InChIInChI=1S/C8H10N6/c1-2-14-5-7(12-13-14)6-3-4-10-8(9)11-6/h3-5H,2H2,1H3,(H2,9,10,11)
InChIKeyOKHNHTFSLRAGGG-UHFFFAOYSA-N
XLogP0.34
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyltriazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1-ethyltriazol-4-yl)pyrimidin-2-amine (CID 137487091) is 4-(1-ethyltriazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-ethyltriazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-ethyltriazol-4-yl)pyrimidin-2-amine is CCn1cc(-c2ccnc(N)n2)nn1.
What is the InChIKey of 4-(1-ethyltriazol-4-yl)pyrimidin-2-amine?
The InChIKey is OKHNHTFSLRAGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-2-14-5-7(12-13-14)6-3-4-10-8(9)11-6/h3-5H,2H2,1H3,(H2,9,10,11).
What are the key properties of 4-(1-ethyltriazol-4-yl)pyrimidin-2-amine?
4-(1-ethyltriazol-4-yl)pyrimidin-2-amine has a molecular weight of 190.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyltriazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 137487091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).