5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine

C15H18N4O — CID 10199316

IUPAC5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine
SMILESCC1(C)C(c2cccc3c2CCO3)[C@H]1c1nc(N)n[nH]1
InChIInChI=1S/C15H18N4O/c1-15(2)11(12(15)13-17-14(16)19-18-13)9-4-3-5-10-8(9)6-7-20-10/h3-5,11-12H,6-7H2,1-2H3,(H3,16,17,18,19)/t11?,12-/m0/s1
InChIKeyQGPAYQGLOZMXAO-KIYNQFGBSA-N
MW270.34 g/mol
LogP2.23
Rot. Bonds2

About 5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine

5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine (PubChem CID 10199316) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine
PubChem CID10199316
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine
SMILESCC1(C)C(c2cccc3c2CCO3)[C@H]1c1nc(N)n[nH]1
InChIInChI=1S/C15H18N4O/c1-15(2)11(12(15)13-17-14(16)19-18-13)9-4-3-5-10-8(9)6-7-20-10/h3-5,11-12H,6-7H2,1-2H3,(H3,16,17,18,19)/t11?,12-/m0/s1
InChIKeyQGPAYQGLOZMXAO-KIYNQFGBSA-N
XLogP2.23
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine (CID 10199316) is 5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine is CC1(C)C(c2cccc3c2CCO3)[C@H]1c1nc(N)n[nH]1.
What is the InChIKey of 5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is QGPAYQGLOZMXAO-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(2)11(12(15)13-17-14(16)19-18-13)9-4-3-5-10-8(9)6-7-20-10/h3-5,11-12H,6-7H2,1-2H3,(H3,16,17,18,19)/t11?,12-/m0/s1.
What are the key properties of 5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine?
5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 270.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 10199316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).