N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide

C8H14N6O2 — CID 103113174

IUPACN-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1nn[nH]n1
InChIInChI=1S/C8H14N6O2/c1-4-14(3)8(16)5(2)9-7(15)6-10-12-13-11-6/h5H,4H2,1-3H3,(H,9,15)(H,10,11,12,13)
InChIKeyRSVSNSUKOZHHLC-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.20
Rot. Bonds4

About N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide

N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide (PubChem CID 103113174) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide
PubChem CID103113174
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC NameN-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1nn[nH]n1
InChIInChI=1S/C8H14N6O2/c1-4-14(3)8(16)5(2)9-7(15)6-10-12-13-11-6/h5H,4H2,1-3H3,(H,9,15)(H,10,11,12,13)
InChIKeyRSVSNSUKOZHHLC-UHFFFAOYSA-N
XLogP-1.20
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide?
The IUPAC name of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide (CID 103113174) is N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide is CCN(C)C(=O)C(C)NC(=O)c1nn[nH]n1.
What is the InChIKey of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide?
The InChIKey is RSVSNSUKOZHHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-4-14(3)8(16)5(2)9-7(15)6-10-12-13-11-6/h5H,4H2,1-3H3,(H,9,15)(H,10,11,12,13).
What are the key properties of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide?
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide has a molecular weight of 226.24 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 103113174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).