N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide

C16H23N7O2 — CID 131663151

IUPACN-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(Cn2nc(C)nc2C)C1
InChIInChI=1S/C16H23N7O2/c1-11-19-12(2)23(20-11)9-14-7-21-5-4-17-15(21)10-22(8-14)16(25)6-18-13(3)24/h4-5,14H,6-10H2,1-3H3,(H,18,24)
InChIKeyDUDPADNKHDCXAM-UHFFFAOYSA-N
MW345.41 g/mol
LogP-0.11
Rot. Bonds4

About N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide

N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide (PubChem CID 131663151) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
PubChem CID131663151
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC NameN-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(Cn2nc(C)nc2C)C1
InChIInChI=1S/C16H23N7O2/c1-11-19-12(2)23(20-11)9-14-7-21-5-4-17-15(21)10-22(8-14)16(25)6-18-13(3)24/h4-5,14H,6-10H2,1-3H3,(H,18,24)
InChIKeyDUDPADNKHDCXAM-UHFFFAOYSA-N
XLogP-0.11
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide (CID 131663151) is N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1Cc2nccn2CC(Cn2nc(C)nc2C)C1.
What is the InChIKey of N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The InChIKey is DUDPADNKHDCXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-11-19-12(2)23(20-11)9-14-7-21-5-4-17-15(21)10-22(8-14)16(25)6-18-13(3)24/h4-5,14H,6-10H2,1-3H3,(H,18,24).
What are the key properties of N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide has a molecular weight of 345.41 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 131663151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).