1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine

C8H14N4O — CID 61318522

IUPAC1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine
SMILESc1n[nH]nc1CNCC1CCCO1
InChIInChI=1S/C8H14N4O/c1-2-8(13-3-1)6-9-4-7-5-10-12-11-7/h5,8-9H,1-4,6H2,(H,10,11,12)
InChIKeyRZZUCNXQTIHTOO-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.07
Rot. Bonds4

About 1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine

1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine (PubChem CID 61318522) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine
PubChem CID61318522
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine
SMILESc1n[nH]nc1CNCC1CCCO1
InChIInChI=1S/C8H14N4O/c1-2-8(13-3-1)6-9-4-7-5-10-12-11-7/h5,8-9H,1-4,6H2,(H,10,11,12)
InChIKeyRZZUCNXQTIHTOO-UHFFFAOYSA-N
XLogP0.07
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 114908402
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 133197507
N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124932139
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40578642
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 129364628
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55228585
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40592688
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine (CID 61318522) is 1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine is c1n[nH]nc1CNCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine?
The InChIKey is RZZUCNXQTIHTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-8(13-3-1)6-9-4-7-5-10-12-11-7/h5,8-9H,1-4,6H2,(H,10,11,12).
What are the key properties of 1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine has a molecular weight of 182.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine is sourced from PubChem (CID 61318522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).