N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide

C10H19N5O — CID 95207497

IUPACN-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
SMILESCC(C)NC(=O)CN[C@@H](C)Cn1cncn1
InChIInChI=1S/C10H19N5O/c1-8(2)14-10(16)4-12-9(3)5-15-7-11-6-13-15/h6-9,12H,4-5H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyYYBTZACSYHFRRO-VIFPVBQESA-N
MW225.30 g/mol
LogP-0.22
Rot. Bonds6

About N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide

N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide (PubChem CID 95207497) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
PubChem CID95207497
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
SMILESCC(C)NC(=O)CN[C@@H](C)Cn1cncn1
InChIInChI=1S/C10H19N5O/c1-8(2)14-10(16)4-12-9(3)5-15-7-11-6-13-15/h6-9,12H,4-5H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyYYBTZACSYHFRRO-VIFPVBQESA-N
XLogP-0.22
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide with MolForge

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Related Compounds

2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853
N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 115595990
2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 75681051
1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 110911522
2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid
CID 117063889
2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 71995156
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126
2-methyl-6-[[2-(1,2,4-triazol-1-yl)acetyl]amino]heptanoic acid
CID 65285659
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996
4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
CID 110226454
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide?
The IUPAC name of N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide (CID 95207497) is N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide is CC(C)NC(=O)CN[C@@H](C)Cn1cncn1.
What is the InChIKey of N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide?
The InChIKey is YYBTZACSYHFRRO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(2)14-10(16)4-12-9(3)5-15-7-11-6-13-15/h6-9,12H,4-5H2,1-3H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide?
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide has a molecular weight of 225.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 95207497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).