N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide

C15H24N4O — CID 71971689

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCc2nnc3n2CCC3)CCC1
InChIInChI=1S/C15H24N4O/c1-11(2)9-15(6-4-7-15)14(20)16-10-13-18-17-12-5-3-8-19(12)13/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyWRAWRQWBBSAJFX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.06
Rot. Bonds5

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide (PubChem CID 71971689) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide
PubChem CID71971689
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCc2nnc3n2CCC3)CCC1
InChIInChI=1S/C15H24N4O/c1-11(2)9-15(6-4-7-15)14(20)16-10-13-18-17-12-5-3-8-19(12)13/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyWRAWRQWBBSAJFX-UHFFFAOYSA-N
XLogP2.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.06
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
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
CID 71921255
1-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-3-[(1-ethylcyclobutyl)methyl]urea
CID 71923067
3-(acetamidomethyl)-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134800244
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylcyclohexanecarboxamide
CID 53500162
N-{rel-(3R,4S)-1-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide hydrochloride
CID 72913811
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 75504256
2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 102554712
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
CID 154794848
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 43698109
6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide
CID 43698125
1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 43698126

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide (CID 71971689) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide is CC(C)CC1(C(=O)NCc2nnc3n2CCC3)CCC1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide?
The InChIKey is WRAWRQWBBSAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)9-15(6-4-7-15)14(20)16-10-13-18-17-12-5-3-8-19(12)13/h11H,3-10H2,1-2H3,(H,16,20).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 71971689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).