1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine

C9H16N4O — CID 62479849

IUPAC1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nnc2n1CCC2
InChIInChI=1S/C9H16N4O/c1-14-6-4-7(10)9-12-11-8-3-2-5-13(8)9/h7H,2-6,10H2,1H3
InChIKeyMHOCOTXOLURCMB-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.26
Rot. Bonds4

About 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine (PubChem CID 62479849) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine
PubChem CID62479849
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nnc2n1CCC2
InChIInChI=1S/C9H16N4O/c1-14-6-4-7(10)9-12-11-8-3-2-5-13(8)9/h7H,2-6,10H2,1H3
InChIKeyMHOCOTXOLURCMB-UHFFFAOYSA-N
XLogP0.26
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine with MolForge

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Related Compounds

2-methyl-1-(5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazol-3-yl)propan-1-amine
CID 43142798
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 71928250
1-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}ethan-1-amine
CID 16227920
(3R,4S)-4-fluoro-N-methyl-N-({5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methyl)oxolan-3-amine
CID 126856230
4-fluoro-N-({5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methyl)oxolan-3-amine
CID 126856310
2-fluoro-N-({5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methyl)oxan-3-amine
CID 126857078
1-[4-(3-Methoxypropyl)-1,2,4-triazol-3-yl]ethanamine
CID 45791118
(1R)-1-(5-ethoxy-4-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 57698940
(1R)-1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)ethanamine
CID 57699072
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine
CID 60730490
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine
CID 78990435
(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 25323677

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine (CID 62479849) is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine is COCCC(N)c1nnc2n1CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine?
The InChIKey is MHOCOTXOLURCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-14-6-4-7(10)9-12-11-8-3-2-5-13(8)9/h7H,2-6,10H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine?
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3-methoxypropan-1-amine has a molecular weight of 196.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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)-3-methoxypropan-1-amine is sourced from PubChem (CID 62479849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).