4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide

C12H20N6O3 — CID 83096780

IUPAC4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C12H20N6O3/c1-8(2)15-11(20)9-6-21-4-3-18(9)10(19)5-17-7-14-12(13)16-17/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,15,20)
InChIKeyDDVFMLZWBNMLCD-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.39
Rot. Bonds4

About 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83096780) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83096780
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C12H20N6O3/c1-8(2)15-11(20)9-6-21-4-3-18(9)10(19)5-17-7-14-12(13)16-17/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,15,20)
InChIKeyDDVFMLZWBNMLCD-UHFFFAOYSA-N
XLogP-1.39
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096778
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097666
N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
CID 83097068
4-(2-piperidin-3-ylacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099192
4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106193
1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61105362
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83096780) is 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1C(=O)Cn1cnc(N)n1.
What is the InChIKey of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is DDVFMLZWBNMLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c1-8(2)15-11(20)9-6-21-4-3-18(9)10(19)5-17-7-14-12(13)16-17/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,15,20).
What are the key properties of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of -1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83096780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).