N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine

C7H12N4 — CID 118675366

IUPACN,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
SMILESC/C=C\n1nc(C)nc1NC
InChIInChI=1S/C7H12N4/c1-4-5-11-7(8-3)9-6(2)10-11/h4-5H,1-3H3,(H,8,9,10)/b5-4-
InChIKeyZBHGODZCIUKNHR-PLNGDYQASA-N
MW152.20 g/mol
LogP1.12
Rot. Bonds2

About N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine

N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine (PubChem CID 118675366) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
PubChem CID118675366
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
SMILESC/C=C\n1nc(C)nc1NC
InChIInChI=1S/C7H12N4/c1-4-5-11-7(8-3)9-6(2)10-11/h4-5H,1-3H3,(H,8,9,10)/b5-4-
InChIKeyZBHGODZCIUKNHR-PLNGDYQASA-N
XLogP1.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
The IUPAC name of N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine (CID 118675366) is N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine is C/C=C\n1nc(C)nc1NC.
What is the InChIKey of N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
The InChIKey is ZBHGODZCIUKNHR-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12N4/c1-4-5-11-7(8-3)9-6(2)10-11/h4-5H,1-3H3,(H,8,9,10)/b5-4-.
What are the key properties of N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine has a molecular weight of 152.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 118675366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).