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

C13H24N4 — CID 106798051

IUPACN-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2ncnn2CC)CC1
InChIInChI=1S/C13H24N4/c1-4-8-14-11(3)13(6-7-13)9-12-15-10-16-17(12)5-2/h10-11,14H,4-9H2,1-3H3
InChIKeyZAHOPVSMMSJNMS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.01
Rot. Bonds7

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

N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine (PubChem CID 106798051) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
PubChem CID106798051
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2ncnn2CC)CC1
InChIInChI=1S/C13H24N4/c1-4-8-14-11(3)13(6-7-13)9-12-15-10-16-17(12)5-2/h10-11,14H,4-9H2,1-3H3
InChIKeyZAHOPVSMMSJNMS-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024457
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798044
1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine
CID 103546912
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025559
N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79103070
N-[1-[1-(furan-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798082
(1S)-1-cyclopentyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81395391
1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451871
1-ethyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
CID 79451834
N-[1-(1,1-dioxothiolan-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115337026
1-ethyl-5-[(3-methylazetidin-3-yl)methyl]-1,2,4-triazole
CID 79451521

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine (CID 106798051) is N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(Cc2ncnn2CC)CC1.
What is the InChIKey of N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The InChIKey is ZAHOPVSMMSJNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-8-14-11(3)13(6-7-13)9-12-15-10-16-17(12)5-2/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106798051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).