2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine

C10H18N4 — CID 65222073

IUPAC2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(CN)c1nnc(C)n1C1CC1
InChIInChI=1S/C10H18N4/c1-3-8(6-11)10-13-12-7(2)14(10)9-4-5-9/h8-9H,3-6,11H2,1-2H3
InChIKeyOMRJRCMXTBOEHA-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.37
Rot. Bonds4

About 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine

2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 65222073) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID65222073
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(CN)c1nnc(C)n1C1CC1
InChIInChI=1S/C10H18N4/c1-3-8(6-11)10-13-12-7(2)14(10)9-4-5-9/h8-9H,3-6,11H2,1-2H3
InChIKeyOMRJRCMXTBOEHA-UHFFFAOYSA-N
XLogP1.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 104686988
2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
CID 106110821
(4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine
CID 112593136
1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
CID 62478267
2-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226790
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 81057696
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115289444
4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
CID 45097111
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79790142
ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
CID 142910584
5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 61377064
2-(1-methyltetrazol-5-yl)butan-1-amine
CID 83635435

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine (CID 65222073) is 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine is CCC(CN)c1nnc(C)n1C1CC1.
What is the InChIKey of 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is OMRJRCMXTBOEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-8(6-11)10-13-12-7(2)14(10)9-4-5-9/h8-9H,3-6,11H2,1-2H3.
What are the key properties of 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine?
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 65222073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).