N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide

C14H17N5O2 — CID 95726375

IUPACN-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccccc2)CCO1)c1cn[nH]n1
InChIInChI=1S/C14H17N5O2/c20-14(13-9-16-18-17-13)15-8-12-10-19(6-7-21-12)11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,15,20)(H,16,17,18)/t12-/m0/s1
InChIKeyZXBMAXSQTDVESX-LBPRGKRZSA-N
MW287.32 g/mol
LogP0.44
Rot. Bonds4

About N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide

N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide (PubChem CID 95726375) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide
PubChem CID95726375
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccccc2)CCO1)c1cn[nH]n1
InChIInChI=1S/C14H17N5O2/c20-14(13-9-16-18-17-13)15-8-12-10-19(6-7-21-12)11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,15,20)(H,16,17,18)/t12-/m0/s1
InChIKeyZXBMAXSQTDVESX-LBPRGKRZSA-N
XLogP0.44
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide (CID 95726375) is N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide is O=C(NC[C@H]1CN(c2ccccc2)CCO1)c1cn[nH]n1.
What is the InChIKey of N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is ZXBMAXSQTDVESX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-14(13-9-16-18-17-13)15-8-12-10-19(6-7-21-12)11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,15,20)(H,16,17,18)/t12-/m0/s1.
What are the key properties of N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide?
N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 95726375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).