4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol

C11H18N6O — CID 114177083

IUPAC4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1cncc2nnnn12
InChIInChI=1S/C11H18N6O/c1-11(2,3)8(4-5-18)13-9-6-12-7-10-14-15-16-17(9)10/h6-8,13,18H,4-5H2,1-3H3
InChIKeyPTJWHCHMPFPVEC-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.73
Rot. Bonds4

About 4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol

4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol (PubChem CID 114177083) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol
PubChem CID114177083
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1cncc2nnnn12
InChIInChI=1S/C11H18N6O/c1-11(2,3)8(4-5-18)13-9-6-12-7-10-14-15-16-17(9)10/h6-8,13,18H,4-5H2,1-3H3
InChIKeyPTJWHCHMPFPVEC-UHFFFAOYSA-N
XLogP0.73
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-1-(tetrazolo[1,5-a]pyrazin-5-ylamino)propan-2-ol
CID 63940787
2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol
CID 66170333
3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide
CID 114143012
4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol
CID 103746128
2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid
CID 65226474
N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
CID 62659503
[3-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]phenyl]methanol
CID 63311511
2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid
CID 104683126
N-(2-methoxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 60980965
2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine
CID 106116411
N-[(5-methylpyrazin-2-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 62845938
N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 60979967

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol (CID 114177083) is 4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol is CC(C)(C)C(CCO)Nc1cncc2nnnn12.
What is the InChIKey of 4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol?
The InChIKey is PTJWHCHMPFPVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-11(2,3)8(4-5-18)13-9-6-12-7-10-14-15-16-17(9)10/h6-8,13,18H,4-5H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol?
4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol has a molecular weight of 250.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol is sourced from PubChem (CID 114177083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).