N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide

C9H15N5O2 — CID 103824821

IUPACN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cn[nH]n1
InChIInChI=1S/C9H15N5O2/c1-9(2,8(16)10-3)5-11-7(15)6-4-12-14-13-6/h4H,5H2,1-3H3,(H,10,16)(H,11,15)(H,12,13,14)
InChIKeyDHNRGMQDDJYGKQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.69
Rot. Bonds4

About N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide (PubChem CID 103824821) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide
PubChem CID103824821
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cn[nH]n1
InChIInChI=1S/C9H15N5O2/c1-9(2,8(16)10-3)5-11-7(15)6-4-12-14-13-6/h4H,5H2,1-3H3,(H,10,16)(H,11,15)(H,12,13,14)
InChIKeyDHNRGMQDDJYGKQ-UHFFFAOYSA-N
XLogP-0.69
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2H-triazole-4-carboxamide
CID 79038825
N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide
CID 47338743
N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide
CID 104857347
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-hydrazinylpyrazine-2-carboxamide
CID 106280282
N-propyl-2H-triazole-4-carboxamide
CID 54219715
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106280160
2H-triazole-4-carbohydrazide
CID 50989778
N-(3-methylbut-2-enyl)-2H-triazole-4-carboxamide
CID 103528182
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide
CID 106280202
5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103824573
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 78995318
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide (CID 103824821) is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide is CNC(=O)C(C)(C)CNC(=O)c1cn[nH]n1.
What is the InChIKey of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide?
The InChIKey is DHNRGMQDDJYGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-9(2,8(16)10-3)5-11-7(15)6-4-12-14-13-6/h4H,5H2,1-3H3,(H,10,16)(H,11,15)(H,12,13,14).
What are the key properties of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide?
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 103824821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).