N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine

C12H22N4O — CID 50975179

IUPACN-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)CC1CCOC1
InChIInChI=1S/C12H22N4O/c1-10(2)16-9-13-14-12(16)7-15(3)6-11-4-5-17-8-11/h9-11H,4-8H2,1-3H3
InChIKeyTYRVZSZYAFUHJY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.33
Rot. Bonds5

About N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine

N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 50975179) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID50975179
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)CC1CCOC1
InChIInChI=1S/C12H22N4O/c1-10(2)16-9-13-14-12(16)7-15(3)6-11-4-5-17-8-11/h9-11H,4-8H2,1-3H3
InChIKeyTYRVZSZYAFUHJY-UHFFFAOYSA-N
XLogP1.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 71928250
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydrofuran-3-ylmethyl)piperidine
CID 74237197
4-fluoro-N-methyl-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 126856128
(3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 126856229
N-[3-(2,2-difluoroethoxy)propyl]-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 132314259
1-Cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea
CID 71892945
3-Methyl-4-(oxolan-3-yl)-1,2,4-triazole
CID 141199127
3-Ethyl-4-(oxolan-3-yl)-1,2,4-triazole
CID 141199128
3,4-Dimethyl-5-(oxolan-3-yl)-1,2,4-triazole
CID 145396936
4-(Oxan-4-yl)-3-propan-2-yl-1,2,4-triazole
CID 146430980
4-(4-Methoxybutan-2-yl)-3-propan-2-yl-1,2,4-triazole
CID 153538830
3-Methyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole
CID 155480208

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (CID 50975179) is N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is CC(C)n1cnnc1CN(C)CC1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is TYRVZSZYAFUHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)16-9-13-14-12(16)7-15(3)6-11-4-5-17-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 50975179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).