N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine

C8H10N6 — CID 58883325

IUPACN-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine
SMILESCCNc1ncnn1-c1ncccn1
InChIInChI=1S/C8H10N6/c1-2-9-7-12-6-13-14(7)8-10-4-3-5-11-8/h3-6H,2H2,1H3,(H,9,12,13)
InChIKeyQJTAMLXPMLNOSA-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.49
Rot. Bonds3

About N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine

N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine (PubChem CID 58883325) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine
PubChem CID58883325
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC NameN-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine
SMILESCCNc1ncnn1-c1ncccn1
InChIInChI=1S/C8H10N6/c1-2-9-7-12-6-13-14(7)8-10-4-3-5-11-8/h3-6H,2H2,1H3,(H,9,12,13)
InChIKeyQJTAMLXPMLNOSA-UHFFFAOYSA-N
XLogP0.49
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine (CID 58883325) is N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine is CCNc1ncnn1-c1ncccn1.
What is the InChIKey of N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is QJTAMLXPMLNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-2-9-7-12-6-13-14(7)8-10-4-3-5-11-8/h3-6H,2H2,1H3,(H,9,12,13).
What are the key properties of N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine?
N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine has a molecular weight of 190.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 58883325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).