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

C10H18N4 — CID 62696043

IUPACN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nncn1C1CC1
InChIInChI=1S/C10H18N4/c1-8(2)11-6-5-10-13-12-7-14(10)9-3-4-9/h7-9,11H,3-6H2,1-2H3
InChIKeyIDFZILQUQZOLGS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.15
Rot. Bonds5

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

N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (PubChem CID 62696043) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
PubChem CID62696043
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nncn1C1CC1
InChIInChI=1S/C10H18N4/c1-8(2)11-6-5-10-13-12-7-14(10)9-3-4-9/h7-9,11H,3-6H2,1-2H3
InChIKeyIDFZILQUQZOLGS-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115889958
3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 62710749
2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
CID 83873587
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
CID 115889963
N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline
CID 62711781
4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole
CID 115394287
(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 50988415
N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329245
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine
CID 115889962
(2S)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methylpentan-1-amine
CID 104916252
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 115689262
3-chloro-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylbenzamide
CID 56787010

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (CID 62696043) is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is CC(C)NCCc1nncn1C1CC1.
What is the InChIKey of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The InChIKey is IDFZILQUQZOLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)11-6-5-10-13-12-7-14(10)9-3-4-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 62696043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).