formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

About formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 166599922) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name	formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
PubChem CID	166599922
Molecular Formula	C21H28N4O4
Molecular Weight	400.48 g/mol
Exact Mass	400.21
IUPAC Name	formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILES	COCC1(C(=O)N2CCn3nc(-c4ccccc4)nc3[C@@H]2C(C)C)CC1.O=CO
InChI	InChI=1S/C20H26N4O2.CH2O2/c1-14(2)16-18-21-17(15-7-5-4-6-8-15)22-24(18)12-11-23(16)19(25)20(9-10-20)13-26-3;2-1-3/h4-8,14,16H,9-13H2,1-3H3;1H,(H,2,3)/t16-;/m0./s1
InChIKey	WGGZPQUUXWPQSF-NTISSMGPSA-N
XLogP	2.61
TPSA	97.55 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The IUPAC name of formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 166599922) is formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

What is the SMILES notation for formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The canonical SMILES for formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is COCC1(C(=O)N2CCn3nc(-c4ccccc4)nc3[C@@H]2C(C)C)CC1.O=CO.

What is the InChIKey of formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The InChIKey is WGGZPQUUXWPQSF-NTISSMGPSA-N. The full InChI is InChI=1S/C20H26N4O2.CH2O2/c1-14(2)16-18-21-17(15-7-5-4-6-8-15)22-24(18)12-11-23(16)19(25)20(9-10-20)13-26-3;2-1-3/h4-8,14,16H,9-13H2,1-3H3;1H,(H,2,3)/t16-;/m0./s1.

What are the key properties of formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 400.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 166599922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).