N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine

C10H18N4O — CID 66266341

IUPACN-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
SMILESCNC1COCC1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C10H18N4O/c1-6(2)9-12-10(14-13-9)7-4-15-5-8(7)11-3/h6-8,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyBHNISZKITXDUEH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.63
Rot. Bonds3

About N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine

N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine (PubChem CID 66266341) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
PubChem CID66266341
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
SMILESCNC1COCC1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C10H18N4O/c1-6(2)9-12-10(14-13-9)7-4-15-5-8(7)11-3/h6-8,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyBHNISZKITXDUEH-UHFFFAOYSA-N
XLogP0.63
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The IUPAC name of N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine (CID 66266341) is N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine.
What is the SMILES notation for N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The canonical SMILES for N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine is CNC1COCC1c1nc(C(C)C)n[nH]1.
What is the InChIKey of N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The InChIKey is BHNISZKITXDUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)9-12-10(14-13-9)7-4-15-5-8(7)11-3/h6-8,11H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine has a molecular weight of 210.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 66266341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).