1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C8H14N4O — CID 60977823

IUPAC1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1n[nH]c(CNCC2CCOC2)n1
InChIInChI=1S/C8H14N4O/c1-2-13-5-7(1)3-9-4-8-10-6-11-12-8/h6-7,9H,1-5H2,(H,10,11,12)
InChIKeyANXXVFQTPZKJRU-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.07
Rot. Bonds4

About 1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 60977823) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID60977823
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1n[nH]c(CNCC2CCOC2)n1
InChIInChI=1S/C8H14N4O/c1-2-13-5-7(1)3-9-4-8-10-6-11-12-8/h6-7,9H,1-5H2,(H,10,11,12)
InChIKeyANXXVFQTPZKJRU-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 60977823) is 1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is c1n[nH]c(CNCC2CCOC2)n1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is ANXXVFQTPZKJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-13-5-7(1)3-9-4-8-10-6-11-12-8/h6-7,9H,1-5H2,(H,10,11,12).
What are the key properties of 1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-(oxolan-3-yl)-N-(1H-1,2,4-triazol-5-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-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 60977823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).