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

C11H18N4 — CID 63044408

IUPAC3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nnc3n2CCC3)C1
InChIInChI=1S/C11H18N4/c12-9-4-1-3-8(7-9)11-14-13-10-5-2-6-15(10)11/h8-9H,1-7,12H2
InChIKeyKHNMTWAAIMPXLB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.21
Rot. Bonds1

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

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine (PubChem CID 63044408) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine
PubChem CID63044408
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nnc3n2CCC3)C1
InChIInChI=1S/C11H18N4/c12-9-4-1-3-8(7-9)11-14-13-10-5-2-6-15(10)11/h8-9H,1-7,12H2
InChIKeyKHNMTWAAIMPXLB-UHFFFAOYSA-N
XLogP1.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine (CID 63044408) is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine is NC1CCCC(c2nnc3n2CCC3)C1.
What is the InChIKey of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine?
The InChIKey is KHNMTWAAIMPXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-9-4-1-3-8(7-9)11-14-13-10-5-2-6-15(10)11/h8-9H,1-7,12H2.
What are the key properties of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine?
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 63044408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).