1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine

C14H22N6 — CID 114555436

IUPAC1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1CNC(C)c1nnc2n1CCC2
InChIInChI=1S/C14H22N6/c1-3-8-20-12(6-7-16-20)10-15-11(2)14-18-17-13-5-4-9-19(13)14/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyNEAUNVGLPKIZQH-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.68
Rot. Bonds6

About 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 114555436) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID114555436
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1CNC(C)c1nnc2n1CCC2
InChIInChI=1S/C14H22N6/c1-3-8-20-12(6-7-16-20)10-15-11(2)14-18-17-13-5-4-9-19(13)14/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyNEAUNVGLPKIZQH-UHFFFAOYSA-N
XLogP1.68
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pentan-3-amine
CID 43748148
N-[(2,6-difluorophenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748063
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748591
N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 71929427
N-[(2-bromophenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43433211
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43791525
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114554830
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
(1S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 52910511
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine (CID 114555436) is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1CNC(C)c1nnc2n1CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is NEAUNVGLPKIZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-3-8-20-12(6-7-16-20)10-15-11(2)14-18-17-13-5-4-9-19(13)14/h6-7,11,15H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114555436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).