4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide

C10H17N5O2 — CID 64529433

IUPAC4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2ncn[nH]2)CCOCC1
InChIInChI=1S/C10H17N5O2/c11-6-10(1-3-17-4-2-10)9(16)12-5-8-13-7-14-15-8/h7H,1-6,11H2,(H,12,16)(H,13,14,15)
InChIKeyLJMCFYKRIYZHNA-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.82
Rot. Bonds4

About 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide

4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide (PubChem CID 64529433) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
PubChem CID64529433
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2ncn[nH]2)CCOCC1
InChIInChI=1S/C10H17N5O2/c11-6-10(1-3-17-4-2-10)9(16)12-5-8-13-7-14-15-8/h7H,1-6,11H2,(H,12,16)(H,13,14,15)
InChIKeyLJMCFYKRIYZHNA-UHFFFAOYSA-N
XLogP-0.82
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide (CID 64529433) is 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide is NCC1(C(=O)NCc2ncn[nH]2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
The InChIKey is LJMCFYKRIYZHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-6-10(1-3-17-4-2-10)9(16)12-5-8-13-7-14-15-8/h7H,1-6,11H2,(H,12,16)(H,13,14,15).
What are the key properties of 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 64529433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).