N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine

C15H28N6 — CID 63621483

IUPACN-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCN1CCN(CCn2cc(CNC3CC3)nn2)CC1C
InChIInChI=1S/C15H28N6/c1-3-20-8-6-19(11-13(20)2)7-9-21-12-15(17-18-21)10-16-14-4-5-14/h12-14,16H,3-11H2,1-2H3
InChIKeyNOOCOJGYINNLJT-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.56
Rot. Bonds7

About N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 63621483) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID63621483
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC NameN-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCN1CCN(CCn2cc(CNC3CC3)nn2)CC1C
InChIInChI=1S/C15H28N6/c1-3-20-8-6-19(11-13(20)2)7-9-21-12-15(17-18-21)10-16-14-4-5-14/h12-14,16H,3-11H2,1-2H3
InChIKeyNOOCOJGYINNLJT-UHFFFAOYSA-N
XLogP0.56
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine
CID 63621831
N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 64581206
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421520
N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 106316630
N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine
CID 154769345
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62433300
N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62427489
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
CID 66269974
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N,N-dimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 63166913

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 63621483) is N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine is CCN1CCN(CCn2cc(CNC3CC3)nn2)CC1C.
What is the InChIKey of N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is NOOCOJGYINNLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-3-20-8-6-19(11-13(20)2)7-9-21-12-15(17-18-21)10-16-14-4-5-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 292.43 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63621483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).