3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine

C6H13N5 — CID 66276661

IUPAC3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine
SMILESCC(C)N(C)c1n[nH]c(N)n1
InChIInChI=1S/C6H13N5/c1-4(2)11(3)6-8-5(7)9-10-6/h4H,1-3H3,(H3,7,8,9,10)
InChIKeyCPONVHSLNQFNTL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.23
Rot. Bonds2

About 3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine

3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66276661) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine
PubChem CID66276661
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine
SMILESCC(C)N(C)c1n[nH]c(N)n1
InChIInChI=1S/C6H13N5/c1-4(2)11(3)6-8-5(7)9-10-6/h4H,1-3H3,(H3,7,8,9,10)
InChIKeyCPONVHSLNQFNTL-UHFFFAOYSA-N
XLogP0.23
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine (CID 66276661) is 3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine is CC(C)N(C)c1n[nH]c(N)n1.
What is the InChIKey of 3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is CPONVHSLNQFNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-4(2)11(3)6-8-5(7)9-10-6/h4H,1-3H3,(H3,7,8,9,10).
What are the key properties of 3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine?
3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 155.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-propan-2-yl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66276661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).