N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide

C14H23N5O2 — CID 110197888

IUPACN-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
SMILESCn1nc2n(c1=O)CCN(C(=O)NC1CCCCC1)CC2
InChIInChI=1S/C14H23N5O2/c1-17-14(21)19-10-9-18(8-7-12(19)16-17)13(20)15-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,15,20)
InChIKeyAOYAVPDZLJWZJB-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.48
Rot. Bonds1

About N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide

N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide (PubChem CID 110197888) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
PubChem CID110197888
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
SMILESCn1nc2n(c1=O)CCN(C(=O)NC1CCCCC1)CC2
InChIInChI=1S/C14H23N5O2/c1-17-14(21)19-10-9-18(8-7-12(19)16-17)13(20)15-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,15,20)
InChIKeyAOYAVPDZLJWZJB-UHFFFAOYSA-N
XLogP0.48
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide (CID 110197888) is N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide is Cn1nc2n(c1=O)CCN(C(=O)NC1CCCCC1)CC2.
What is the InChIKey of N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
The InChIKey is AOYAVPDZLJWZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17-14(21)19-10-9-18(8-7-12(19)16-17)13(20)15-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,15,20).
What are the key properties of N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 110197888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).