5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine

C10H15N7 — CID 136674912

IUPAC5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2cnc(C3(N)CCC3)[nH]2)nc1N
InChIInChI=1S/C10H15N7/c1-17-9(11)15-7(16-17)6-5-13-8(14-6)10(12)3-2-4-10/h5H,2-4,12H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyXJYOIKUMQDDXSP-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.13
Rot. Bonds2

About 5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine

5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 136674912) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID136674912
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2cnc(C3(N)CCC3)[nH]2)nc1N
InChIInChI=1S/C10H15N7/c1-17-9(11)15-7(16-17)6-5-13-8(14-6)10(12)3-2-4-10/h5H,2-4,12H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyXJYOIKUMQDDXSP-UHFFFAOYSA-N
XLogP0.13
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine (CID 136674912) is 5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine is Cn1nc(-c2cnc(C3(N)CCC3)[nH]2)nc1N.
What is the InChIKey of 5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is XJYOIKUMQDDXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-17-9(11)15-7(16-17)6-5-13-8(14-6)10(12)3-2-4-10/h5H,2-4,12H2,1H3,(H,13,14)(H2,11,15,16).
What are the key properties of 5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine?
5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 233.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 136674912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).