[(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone

C14H23N5O2 — CID 95727153

IUPAC[(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
SMILESCC(C)c1nnc2n1CCN(C(=O)[C@H]1CNCCO1)CC2
InChIInChI=1S/C14H23N5O2/c1-10(2)13-17-16-12-3-5-18(6-7-19(12)13)14(20)11-9-15-4-8-21-11/h10-11,15H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyOUCKCJXJNUPXSS-LLVKDONJSA-N
MW293.37 g/mol
LogP-0.23
Rot. Bonds2

About [(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone

[(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone (PubChem CID 95727153) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone.

Molecular Properties

Compound Name[(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
PubChem CID95727153
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
SMILESCC(C)c1nnc2n1CCN(C(=O)[C@H]1CNCCO1)CC2
InChIInChI=1S/C14H23N5O2/c1-10(2)13-17-16-12-3-5-18(6-7-19(12)13)14(20)11-9-15-4-8-21-11/h10-11,15H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyOUCKCJXJNUPXSS-LLVKDONJSA-N
XLogP-0.23
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone?
The IUPAC name of [(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone (CID 95727153) is [(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone.
What is the SMILES notation for [(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone?
The canonical SMILES for [(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone is CC(C)c1nnc2n1CCN(C(=O)[C@H]1CNCCO1)CC2.
What is the InChIKey of [(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone?
The InChIKey is OUCKCJXJNUPXSS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(2)13-17-16-12-3-5-18(6-7-19(12)13)14(20)11-9-15-4-8-21-11/h10-11,15H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone?
[(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone is sourced from PubChem (CID 95727153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).