N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine

C12H20N4 — CID 79597866

IUPACN-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)Cc1ncnn1C
InChIInChI=1S/C12H20N4/c1-10(4-3-7-13-11-5-6-11)8-12-14-9-15-16(12)2/h4,9,11,13H,3,5-8H2,1-2H3
InChIKeyZSJDFLDJBIJXIR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.45
Rot. Bonds6

About N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine

N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine (PubChem CID 79597866) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine
PubChem CID79597866
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)Cc1ncnn1C
InChIInChI=1S/C12H20N4/c1-10(4-3-7-13-11-5-6-11)8-12-14-9-15-16(12)2/h4,9,11,13H,3,5-8H2,1-2H3
InChIKeyZSJDFLDJBIJXIR-UHFFFAOYSA-N
XLogP1.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79592460
N-[3,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butyl]cyclopropanamine
CID 81023570
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 115689877
N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine
CID 103019344
N-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopropanamine
CID 104603601
N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine
CID 79598630
N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
CID 79606791
N-[5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
CID 79607034
N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 83159530
2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 86778919
4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 116559456
N-(4-methyl-5-propan-2-yloxypent-3-enyl)cyclopropanamine
CID 79599787

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine (CID 79597866) is N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine is CC(=CCCNC1CC1)Cc1ncnn1C.
What is the InChIKey of N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine?
The InChIKey is ZSJDFLDJBIJXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(4-3-7-13-11-5-6-11)8-12-14-9-15-16(12)2/h4,9,11,13H,3,5-8H2,1-2H3.
What are the key properties of N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine?
N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine has a molecular weight of 220.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 79597866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).