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

C8H18N6 — CID 66275602

IUPAC3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)CCCN(C)c1n[nH]c(N)n1
InChIInChI=1S/C8H18N6/c1-13(2)5-4-6-14(3)8-10-7(9)11-12-8/h4-6H2,1-3H3,(H3,9,10,11,12)
InChIKeyYMOAVNLZZFHPSS-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.23
Rot. Bonds5

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

3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66275602) has the molecular formula C8H18N6 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID66275602
Molecular FormulaC8H18N6
Molecular Weight198.27 g/mol
Exact Mass198.16
IUPAC Name3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)CCCN(C)c1n[nH]c(N)n1
InChIInChI=1S/C8H18N6/c1-13(2)5-4-6-14(3)8-10-7(9)11-12-8/h4-6H2,1-3H3,(H3,9,10,11,12)
InChIKeyYMOAVNLZZFHPSS-UHFFFAOYSA-N
XLogP-0.23
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (CID 66275602) is 3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is CN(C)CCCN(C)c1n[nH]c(N)n1.
What is the InChIKey of 3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is YMOAVNLZZFHPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N6/c1-13(2)5-4-6-14(3)8-10-7(9)11-12-8/h4-6H2,1-3H3,(H3,9,10,11,12).
What are the key properties of 3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 198.27 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(dimethylamino)propyl]-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66275602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).