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

C9H15N5O — CID 169126641

IUPACN,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCN(C)C(=O)c1nc2n(n1)CCCNC2
InChIInChI=1S/C9H15N5O/c1-13(2)9(15)8-11-7-6-10-4-3-5-14(7)12-8/h10H,3-6H2,1-2H3
InChIKeyGJMGIJPAEWSVIT-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.53
Rot. Bonds1

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

N,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 169126641) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID169126641
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCN(C)C(=O)c1nc2n(n1)CCCNC2
InChIInChI=1S/C9H15N5O/c1-13(2)9(15)8-11-7-6-10-4-3-5-14(7)12-8/h10H,3-6H2,1-2H3
InChIKeyGJMGIJPAEWSVIT-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,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 169126641) is N,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide is CN(C)C(=O)c1nc2n(n1)CCCNC2.
What is the InChIKey of N,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is GJMGIJPAEWSVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-13(2)9(15)8-11-7-6-10-4-3-5-14(7)12-8/h10H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide?
N,N-dimethyl-6,7,8,9-tetrahydro-5H-[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,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 169126641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).