1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

C11H20N4 — CID 79850995

IUPAC1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CC2(N)CCC2)n1C(C)C
InChIInChI=1S/C11H20N4/c1-8(2)15-9(3)13-14-10(15)7-11(12)5-4-6-11/h8H,4-7,12H2,1-3H3
InChIKeyFRVAINRMEWSNCO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.59
Rot. Bonds3

About 1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 79850995) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID79850995
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CC2(N)CCC2)n1C(C)C
InChIInChI=1S/C11H20N4/c1-8(2)15-9(3)13-14-10(15)7-11(12)5-4-6-11/h8H,4-7,12H2,1-3H3
InChIKeyFRVAINRMEWSNCO-UHFFFAOYSA-N
XLogP1.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (CID 79850995) is 1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is Cc1nnc(CC2(N)CCC2)n1C(C)C.
What is the InChIKey of 1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is FRVAINRMEWSNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)15-9(3)13-14-10(15)7-11(12)5-4-6-11/h8H,4-7,12H2,1-3H3.
What are the key properties of 1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 79850995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).