2-(cinnolin-4-ylamino)-3-methylbutan-1-ol

C13H17N3O — CID 79246033

IUPAC2-(cinnolin-4-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cnnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-9(2)13(8-17)15-12-7-14-16-11-6-4-3-5-10(11)12/h3-7,9,13,17H,8H2,1-2H3,(H,15,16)
InChIKeyHBOVFYKQLJAVBX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.06
Rot. Bonds4

About 2-(cinnolin-4-ylamino)-3-methylbutan-1-ol

2-(cinnolin-4-ylamino)-3-methylbutan-1-ol (PubChem CID 79246033) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(cinnolin-4-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cinnolin-4-ylamino)-3-methylbutan-1-ol
PubChem CID79246033
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(cinnolin-4-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cnnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-9(2)13(8-17)15-12-7-14-16-11-6-4-3-5-10(11)12/h3-7,9,13,17H,8H2,1-2H3,(H,15,16)
InChIKeyHBOVFYKQLJAVBX-UHFFFAOYSA-N
XLogP2.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cinnolin-4-ylamino)butan-1-ol
CID 83187349
N-propan-2-ylcinnolin-4-amine
CID 39733520
2-(cinnolin-4-ylamino)-3-methylbutanoic acid
CID 63587102
3-N-cinnolin-4-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 55215132
N-hexan-2-ylcinnolin-4-amine
CID 63586030
methyl 3-(cinnolin-4-ylamino)butanoate
CID 114283867
N-(4-methoxybutan-2-yl)cinnolin-4-amine
CID 64605696
N-heptan-2-ylcinnolin-4-amine
CID 63587119
N-(4-methylsulfinylbutan-2-yl)cinnolin-4-amine
CID 113493566
N-methylcinnolin-4-amine
CID 6412705
N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine
CID 63587516
N-[1-(furan-2-yl)ethyl]cinnolin-4-amine
CID 55213775

Frequently Asked Questions

What is the IUPAC name of 2-(cinnolin-4-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(cinnolin-4-ylamino)-3-methylbutan-1-ol (CID 79246033) is 2-(cinnolin-4-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(cinnolin-4-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(cinnolin-4-ylamino)-3-methylbutan-1-ol is CC(C)C(CO)Nc1cnnc2ccccc12.
What is the InChIKey of 2-(cinnolin-4-ylamino)-3-methylbutan-1-ol?
The InChIKey is HBOVFYKQLJAVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)13(8-17)15-12-7-14-16-11-6-4-3-5-10(11)12/h3-7,9,13,17H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-(cinnolin-4-ylamino)-3-methylbutan-1-ol?
2-(cinnolin-4-ylamino)-3-methylbutan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cinnolin-4-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 79246033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).