3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine

C8H11N7 — CID 58976128

IUPAC3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)n(-c2ncccn2)n1
InChIInChI=1S/C8H11N7/c1-2-10-7-13-6(9)15(14-7)8-11-4-3-5-12-8/h3-5H,2H2,1H3,(H3,9,10,13,14)
InChIKeySZKRCJZBLRQPOK-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.07
Rot. Bonds3

About 3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine

3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 58976128) has the molecular formula C8H11N7 and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine
PubChem CID58976128
Molecular FormulaC8H11N7
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)n(-c2ncccn2)n1
InChIInChI=1S/C8H11N7/c1-2-10-7-13-6(9)15(14-7)8-11-4-3-5-12-8/h3-5H,2H2,1H3,(H3,9,10,13,14)
InChIKeySZKRCJZBLRQPOK-UHFFFAOYSA-N
XLogP0.07
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine (CID 58976128) is 3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine is CCNc1nc(N)n(-c2ncccn2)n1.
What is the InChIKey of 3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine?
The InChIKey is SZKRCJZBLRQPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-2-10-7-13-6(9)15(14-7)8-11-4-3-5-12-8/h3-5H,2H2,1H3,(H3,9,10,13,14).
What are the key properties of 3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine?
3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 205.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).