N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

C10H18N4 — CID 62720716

IUPACN-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCCCNCc1nc(C2CC2)nn1C
InChIInChI=1S/C10H18N4/c1-3-6-11-7-9-12-10(8-4-5-8)13-14(9)2/h8,11H,3-7H2,1-2H3
InChIKeyRFZXVYUDQHXCDS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.19
Rot. Bonds5

About N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (PubChem CID 62720716) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
PubChem CID62720716
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCCCNCc1nc(C2CC2)nn1C
InChIInChI=1S/C10H18N4/c1-3-6-11-7-9-12-10(8-4-5-8)13-14(9)2/h8,11H,3-7H2,1-2H3
InChIKeyRFZXVYUDQHXCDS-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine
CID 62720706
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine
CID 62720360
2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid
CID 167908959
6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62721244
N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
CID 138006730
(1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 164632197
5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605683
N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 64986163
N-[(2-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922
3-cyclopropyl-1,5-diethyl-1,2,4-triazole
CID 134468971
butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate
CID 167752619
4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutanoic acid
CID 62941672

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (CID 62720716) is N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is CCCNCc1nc(C2CC2)nn1C.
What is the InChIKey of N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The InChIKey is RFZXVYUDQHXCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-6-11-7-9-12-10(8-4-5-8)13-14(9)2/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62720716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).