N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide

C10H17N5O2 — CID 64531342

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)C1CNCCO1
InChIInChI=1S/C10H17N5O2/c16-10(8-6-11-4-5-17-8)12-3-1-2-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15)
InChIKeyUYEOXEMCUKHMKG-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.16
Rot. Bonds5

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide

N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide (PubChem CID 64531342) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide
PubChem CID64531342
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)C1CNCCO1
InChIInChI=1S/C10H17N5O2/c16-10(8-6-11-4-5-17-8)12-3-1-2-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15)
InChIKeyUYEOXEMCUKHMKG-UHFFFAOYSA-N
XLogP-1.16
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
CID 103850296
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide
CID 119838296
2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 79758881
5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 114826327
N-octylmorpholine-2-carboxamide
CID 115567943
3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64531341
N-(3-cyclopentylpropyl)morpholine-2-carboxamide
CID 113266264
N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119706942
N-[2-(cyclopropanecarbonylamino)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119687765
(2R)-N-[2-(1H-benzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 99824773
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 64531607

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide (CID 64531342) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide is O=C(NCCCc1ncn[nH]1)C1CNCCO1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide?
The InChIKey is UYEOXEMCUKHMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c16-10(8-6-11-4-5-17-8)12-3-1-2-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 64531342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).