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

C16H27N5 — CID 79109793

IUPACN-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCCNC(CC)c1ccn(Cc2ncnn2CCC)c1
InChIInChI=1S/C16H27N5/c1-4-8-17-15(6-3)14-7-10-20(11-14)12-16-18-13-19-21(16)9-5-2/h7,10-11,13,15,17H,4-6,8-9,12H2,1-3H3
InChIKeyYPVVILMJTOJJSV-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.99
Rot. Bonds9

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

N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79109793) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79109793
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCCNC(CC)c1ccn(Cc2ncnn2CCC)c1
InChIInChI=1S/C16H27N5/c1-4-8-17-15(6-3)14-7-10-20(11-14)12-16-18-13-19-21(16)9-5-2/h7,10-11,13,15,17H,4-6,8-9,12H2,1-3H3
InChIKeyYPVVILMJTOJJSV-UHFFFAOYSA-N
XLogP2.99
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104903
N-methyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104717
N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105165
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]ethanamine
CID 79101803
N-[1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79098261
N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79104557
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]butan-1-amine
CID 79108050
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105314
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79109772

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (CID 79109793) is N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is CCCNC(CC)c1ccn(Cc2ncnn2CCC)c1.
What is the InChIKey of N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is YPVVILMJTOJJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-8-17-15(6-3)14-7-10-20(11-14)12-16-18-13-19-21(16)9-5-2/h7,10-11,13,15,17H,4-6,8-9,12H2,1-3H3.
What are the key properties of N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79109793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).