[1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol

C11H20N4O — CID 115928015

IUPAC[1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol
SMILESCC(CCn1cncn1)NC1(CO)CCC1
InChIInChI=1S/C11H20N4O/c1-10(3-6-15-9-12-8-13-15)14-11(7-16)4-2-5-11/h8-10,14,16H,2-7H2,1H3
InChIKeyIVCWTDIDSJUKKY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.56
Rot. Bonds6

About [1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol

[1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol (PubChem CID 115928015) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol
PubChem CID115928015
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol
SMILESCC(CCn1cncn1)NC1(CO)CCC1
InChIInChI=1S/C11H20N4O/c1-10(3-6-15-9-12-8-13-15)14-11(7-16)4-2-5-11/h8-10,14,16H,2-7H2,1H3
InChIKeyIVCWTDIDSJUKKY-UHFFFAOYSA-N
XLogP0.56
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol?
The IUPAC name of [1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol (CID 115928015) is [1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol is CC(CCn1cncn1)NC1(CO)CCC1.
What is the InChIKey of [1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol?
The InChIKey is IVCWTDIDSJUKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10(3-6-15-9-12-8-13-15)14-11(7-16)4-2-5-11/h8-10,14,16H,2-7H2,1H3.
What are the key properties of [1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol?
[1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol has a molecular weight of 224.31 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol is sourced from PubChem (CID 115928015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).