N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide

C9H15N5O2 — CID 567711

IUPACN-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ncn[nH]1
InChIInChI=1S/C9H15N5O2/c15-9(8-11-7-12-13-8)10-1-2-14-3-5-16-6-4-14/h7H,1-6H2,(H,10,15)(H,11,12,13)
InChIKeyBAXQBGHFQYGASK-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.13
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide

N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 567711) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID567711
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ncn[nH]1
InChIInChI=1S/C9H15N5O2/c15-9(8-11-7-12-13-8)10-1-2-14-3-5-16-6-4-14/h7H,1-6H2,(H,10,15)(H,11,12,13)
InChIKeyBAXQBGHFQYGASK-UHFFFAOYSA-N
XLogP-1.13
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide (CID 567711) is N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide is O=C(NCCN1CCOCC1)c1ncn[nH]1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BAXQBGHFQYGASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c15-9(8-11-7-12-13-8)10-1-2-14-3-5-16-6-4-14/h7H,1-6H2,(H,10,15)(H,11,12,13).
What are the key properties of N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 567711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).