N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine

C8H16N4 — CID 23389285

IUPACN,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine
SMILESCCCn1ncnc1CN(C)C
InChIInChI=1S/C8H16N4/c1-4-5-12-8(6-11(2)3)9-7-10-12/h7H,4-6H2,1-3H3
InChIKeyPTDFLAPXBODYTQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.75
Rot. Bonds4

About N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine

N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 23389285) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine
PubChem CID23389285
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine
SMILESCCCn1ncnc1CN(C)C
InChIInChI=1S/C8H16N4/c1-4-5-12-8(6-11(2)3)9-7-10-12/h7H,4-6H2,1-3H3
InChIKeyPTDFLAPXBODYTQ-UHFFFAOYSA-N
XLogP0.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine (CID 23389285) is N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine is CCCn1ncnc1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is PTDFLAPXBODYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-5-12-8(6-11(2)3)9-7-10-12/h7H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine?
N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 168.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 23389285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).