7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

C15H24N4O — CID 91922475

IUPAC7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
SMILESO=c1n(CC2CC2)nc2n1CCN(C1CCCC1)CC2
InChIInChI=1S/C15H24N4O/c20-15-18-10-9-17(13-3-1-2-4-13)8-7-14(18)16-19(15)11-12-5-6-12/h12-13H,1-11H2
InChIKeyHRTZILGPTIKWHU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.26
Rot. Bonds3

About 7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one (PubChem CID 91922475) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one.

Molecular Properties

Compound Name7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
PubChem CID91922475
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
SMILESO=c1n(CC2CC2)nc2n1CCN(C1CCCC1)CC2
InChIInChI=1S/C15H24N4O/c20-15-18-10-9-17(13-3-1-2-4-13)8-7-14(18)16-19(15)11-12-5-6-12/h12-13H,1-11H2
InChIKeyHRTZILGPTIKWHU-UHFFFAOYSA-N
XLogP1.26
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one?
The IUPAC name of 7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one (CID 91922475) is 7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one.
What is the SMILES notation for 7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one?
The canonical SMILES for 7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one is O=c1n(CC2CC2)nc2n1CCN(C1CCCC1)CC2.
What is the InChIKey of 7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one?
The InChIKey is HRTZILGPTIKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-15-18-10-9-17(13-3-1-2-4-13)8-7-14(18)16-19(15)11-12-5-6-12/h12-13H,1-11H2.
What are the key properties of 7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one?
7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-(cyclopropylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one is sourced from PubChem (CID 91922475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).