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

C15H25N5 — CID 79104903

IUPACN-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCCn1ncnc1Cn1ccc(C(CC)NCC)c1
InChIInChI=1S/C15H25N5/c1-4-8-20-15(17-12-18-20)11-19-9-7-13(10-19)14(5-2)16-6-3/h7,9-10,12,14,16H,4-6,8,11H2,1-3H3
InChIKeyDUFDOTFPZJCJPS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.60
Rot. Bonds8

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

N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79104903) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79104903
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCCn1ncnc1Cn1ccc(C(CC)NCC)c1
InChIInChI=1S/C15H25N5/c1-4-8-20-15(17-12-18-20)11-19-9-7-13(10-19)14(5-2)16-6-3/h7,9-10,12,14,16H,4-6,8,11H2,1-3H3
InChIKeyDUFDOTFPZJCJPS-UHFFFAOYSA-N
XLogP2.60
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109793
N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105165
N-methyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104717
1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]ethanamine
CID 79101803
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-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
N-ethyl-1-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 107045562
N-[1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79098261
N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79105246
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]-N-ethylpropan-1-amine
CID 104801330
N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104817

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (CID 79104903) is N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is CCCn1ncnc1Cn1ccc(C(CC)NCC)c1.
What is the InChIKey of N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is DUFDOTFPZJCJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-8-20-15(17-12-18-20)11-19-9-7-13(10-19)14(5-2)16-6-3/h7,9-10,12,14,16H,4-6,8,11H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79104903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).