N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine

C15H28N6 — CID 62412244

IUPACN-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN2CCN(C3CC3)CC2)nn1
InChIInChI=1S/C15H28N6/c1-13(2)16-11-14-12-21(18-17-14)10-7-19-5-8-20(9-6-19)15-3-4-15/h12-13,15-16H,3-11H2,1-2H3
InChIKeyVRRLDNMZFOFGLZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.56
Rot. Bonds7

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

N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62412244) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62412244
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC NameN-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN2CCN(C3CC3)CC2)nn1
InChIInChI=1S/C15H28N6/c1-13(2)16-11-14-12-21(18-17-14)10-7-19-5-8-20(9-6-19)15-3-4-15/h12-13,15-16H,3-11H2,1-2H3
InChIKeyVRRLDNMZFOFGLZ-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

N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421519
N-[[1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55074277
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66192005
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62440052
N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 63024468
N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 103503296
N-[[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 114413535
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
N-[[1-[2-[cyclopentylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 63655308
2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 62425058
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine
CID 62423750

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62412244) is N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCN2CCN(C3CC3)CC2)nn1.
What is the InChIKey of N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is VRRLDNMZFOFGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-13(2)16-11-14-12-21(18-17-14)10-7-19-5-8-20(9-6-19)15-3-4-15/h12-13,15-16H,3-11H2,1-2H3.
What are the key properties of N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine 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-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62412244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).