N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide

C9H15N5O — CID 58465598

IUPACN,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCNC(=O)c1nc2n(n1)CCCN(C)C2
InChIInChI=1S/C9H15N5O/c1-10-9(15)8-11-7-6-13(2)4-3-5-14(7)12-8/h3-6H2,1-2H3,(H,10,15)
InChIKeyLIUIHNMJPKPGMY-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.53
Rot. Bonds1

About N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide

N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 58465598) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID58465598
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCNC(=O)c1nc2n(n1)CCCN(C)C2
InChIInChI=1S/C9H15N5O/c1-10-9(15)8-11-7-6-13(2)4-3-5-14(7)12-8/h3-6H2,1-2H3,(H,10,15)
InChIKeyLIUIHNMJPKPGMY-UHFFFAOYSA-N
XLogP-0.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 58465598) is N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide is CNC(=O)c1nc2n(n1)CCCN(C)C2.
What is the InChIKey of N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is LIUIHNMJPKPGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-10-9(15)8-11-7-6-13(2)4-3-5-14(7)12-8/h3-6H2,1-2H3,(H,10,15).
What are the key properties of N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide?
N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 58465598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).