N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide

C10H17N5O2 — CID 113276442

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(NC(=O)c1ncn[nH]1)C(=O)NC(C)(C)C
InChIInChI=1S/C10H17N5O2/c1-6(8(16)14-10(2,3)4)13-9(17)7-11-5-12-15-7/h5-6H,1-4H3,(H,13,17)(H,14,16)(H,11,12,15)
InChIKeyHJGYTOPVXAYNNX-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.16
Rot. Bonds3

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 113276442) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID113276442
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(NC(=O)c1ncn[nH]1)C(=O)NC(C)(C)C
InChIInChI=1S/C10H17N5O2/c1-6(8(16)14-10(2,3)4)13-9(17)7-11-5-12-15-7/h5-6H,1-4H3,(H,13,17)(H,14,16)(H,11,12,15)
InChIKeyHJGYTOPVXAYNNX-UHFFFAOYSA-N
XLogP-0.16
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 47400529
2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63652597
N-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747990
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517
2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 63654157
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 47401062
N-(2-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115749118
N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115749162
methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
CID 175927408
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 103752610
3-chloro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282499

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide (CID 113276442) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide is CC(NC(=O)c1ncn[nH]1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HJGYTOPVXAYNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6(8(16)14-10(2,3)4)13-9(17)7-11-5-12-15-7/h5-6H,1-4H3,(H,13,17)(H,14,16)(H,11,12,15).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 113276442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).