N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine

C7H14N4 — CID 115585376

IUPACN,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCN(C)CCCn1cncn1
InChIInChI=1S/C7H14N4/c1-10(2)4-3-5-11-7-8-6-9-11/h6-7H,3-5H2,1-2H3
InChIKeyRUSSWNVKMIUIRC-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.23
Rot. Bonds4

About N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine

N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 115585376) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID115585376
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCN(C)CCCn1cncn1
InChIInChI=1S/C7H14N4/c1-10(2)4-3-5-11-7-8-6-9-11/h6-7H,3-5H2,1-2H3
InChIKeyRUSSWNVKMIUIRC-UHFFFAOYSA-N
XLogP0.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 115585376) is N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine is CN(C)CCCn1cncn1.
What is the InChIKey of N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is RUSSWNVKMIUIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-10(2)4-3-5-11-7-8-6-9-11/h6-7H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 154.22 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 115585376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).