N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C16H24N4O — CID 134800629

IUPACN-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCc2nnc(C3CC3)n21
InChIInChI=1S/C16H24N4O/c21-16(17-10-11-4-2-1-3-5-11)13-8-9-14-18-19-15(20(13)14)12-6-7-12/h11-13H,1-10H2,(H,17,21)
InChIKeyJYTJTTBRBJOECM-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.34
Rot. Bonds4

About N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134800629) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134800629
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCc2nnc(C3CC3)n21
InChIInChI=1S/C16H24N4O/c21-16(17-10-11-4-2-1-3-5-11)13-8-9-14-18-19-15(20(13)14)12-6-7-12/h11-13H,1-10H2,(H,17,21)
InChIKeyJYTJTTBRBJOECM-UHFFFAOYSA-N
XLogP2.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 53516626
2-acetamido-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylbutanamide
CID 53521520
Sdccgsbi-0662644.P001
CID 118740491
3-tert-butyl-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740607
N,N-dimethyl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740609
Sdccgsbi-0662665.P001
CID 118740610
N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134790686
CID 134796010
CID 134796010
N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide
CID 134796655
N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134796769
(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 134796795
4-[5-(4-acetylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-N-tert-butylpiperidine-1-carboxamide
CID 134797172

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134800629) is N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is O=C(NCC1CCCCC1)C1CCc2nnc(C3CC3)n21.
What is the InChIKey of N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is JYTJTTBRBJOECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(17-10-11-4-2-1-3-5-11)13-8-9-14-18-19-15(20(13)14)12-6-7-12/h11-13H,1-10H2,(H,17,21).
What are the key properties of N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134800629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).