2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol

C13H22N4O — CID 114080466

IUPAC2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol
SMILESCc1nccnc1C(C)(CO)N1CCCNCC1
InChIInChI=1S/C13H22N4O/c1-11-12(16-6-5-15-11)13(2,10-18)17-8-3-4-14-7-9-17/h5-6,14,18H,3-4,7-10H2,1-2H3
InChIKeyXKRQRHFDUZZIRX-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.29
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol

2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol (PubChem CID 114080466) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol
PubChem CID114080466
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol
SMILESCc1nccnc1C(C)(CO)N1CCCNCC1
InChIInChI=1S/C13H22N4O/c1-11-12(16-6-5-15-11)13(2,10-18)17-8-3-4-14-7-9-17/h5-6,14,18H,3-4,7-10H2,1-2H3
InChIKeyXKRQRHFDUZZIRX-UHFFFAOYSA-N
XLogP0.29
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-yl)-2-pyridin-4-ylpropan-1-ol
CID 61047834
2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)propan-1-ol
CID 61049034
2-(1,4-diazepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 61048628
2-(1,4-diazepan-1-yl)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61048838
2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol
CID 61053881
2-(2,5-dimethylphenyl)-2-piperazin-1-ylpropan-1-ol
CID 61055498
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
CID 155077597
2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid
CID 114080464
2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 61054698
2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol
CID 64757089
2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol
CID 114079755

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol (CID 114080466) is 2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol is Cc1nccnc1C(C)(CO)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol?
The InChIKey is XKRQRHFDUZZIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-12(16-6-5-15-11)13(2,10-18)17-8-3-4-14-7-9-17/h5-6,14,18H,3-4,7-10H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol?
2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol is sourced from PubChem (CID 114080466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).