3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine

C7H16N6 — CID 66276664

IUPAC3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCC(CNc1n[nH]c(N)n1)N(C)C
InChIInChI=1S/C7H16N6/c1-5(13(2)3)4-9-7-10-6(8)11-12-7/h5H,4H2,1-3H3,(H4,8,9,10,11,12)
InChIKeyOBPJWLGONJCMBE-UHFFFAOYSA-N
MW184.25 g/mol
LogP-0.25
Rot. Bonds4

About 3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66276664) has the molecular formula C7H16N6 and a molecular weight of 184.25 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID66276664
Molecular FormulaC7H16N6
Molecular Weight184.25 g/mol
Exact Mass184.14
IUPAC Name3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCC(CNc1n[nH]c(N)n1)N(C)C
InChIInChI=1S/C7H16N6/c1-5(13(2)3)4-9-7-10-6(8)11-12-7/h5H,4H2,1-3H3,(H4,8,9,10,11,12)
InChIKeyOBPJWLGONJCMBE-UHFFFAOYSA-N
XLogP-0.25
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine (CID 66276664) is 3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine is CC(CNc1n[nH]c(N)n1)N(C)C.
What is the InChIKey of 3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is OBPJWLGONJCMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6/c1-5(13(2)3)4-9-7-10-6(8)11-12-7/h5H,4H2,1-3H3,(H4,8,9,10,11,12).
What are the key properties of 3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 184.25 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66276664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).