5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine

C5H11N5 — CID 12957667

IUPAC5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1nc(N)nn1C
InChIInChI=1S/C5H11N5/c1-9(2)5-7-4(6)8-10(5)3/h1-3H3,(H2,6,8)
InChIKeyYPVUBEWWGNRQAM-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.54
Rot. Bonds1

About 5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine

5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine (PubChem CID 12957667) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine
PubChem CID12957667
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1nc(N)nn1C
InChIInChI=1S/C5H11N5/c1-9(2)5-7-4(6)8-10(5)3/h1-3H3,(H2,6,8)
InChIKeyYPVUBEWWGNRQAM-UHFFFAOYSA-N
XLogP-0.54
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine (CID 12957667) is 5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine is CN(C)c1nc(N)nn1C.
What is the InChIKey of 5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is YPVUBEWWGNRQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-9(2)5-7-4(6)8-10(5)3/h1-3H3,(H2,6,8).
What are the key properties of 5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine?
5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 141.18 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,1-trimethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 12957667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).