1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea

C10H19N7O — CID 167973623

IUPAC1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea
SMILESCCN1CCC(CNC(=O)Nc2nnn(C)n2)C1
InChIInChI=1S/C10H19N7O/c1-3-17-5-4-8(7-17)6-11-10(18)12-9-13-15-16(2)14-9/h8H,3-7H2,1-2H3,(H2,11,12,14,18)
InChIKeyRAMZWOBAMYELRI-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.33
Rot. Bonds4

About 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea

1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea (PubChem CID 167973623) has the molecular formula C10H19N7O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea
PubChem CID167973623
Molecular FormulaC10H19N7O
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea
SMILESCCN1CCC(CNC(=O)Nc2nnn(C)n2)C1
InChIInChI=1S/C10H19N7O/c1-3-17-5-4-8(7-17)6-11-10(18)12-9-13-15-16(2)14-9/h8H,3-7H2,1-2H3,(H2,11,12,14,18)
InChIKeyRAMZWOBAMYELRI-UHFFFAOYSA-N
XLogP-0.33
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide
CID 60856052
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea
CID 95126845
1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94197353
1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 125166052
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
3-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266531
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62237446
(2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 61205667
N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 60856399
1-(4-cyanophenyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 47070312
N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide
CID 60857032

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea (CID 167973623) is 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea is CCN1CCC(CNC(=O)Nc2nnn(C)n2)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea?
The InChIKey is RAMZWOBAMYELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O/c1-3-17-5-4-8(7-17)6-11-10(18)12-9-13-15-16(2)14-9/h8H,3-7H2,1-2H3,(H2,11,12,14,18).
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea?
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea has a molecular weight of 253.31 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea is sourced from PubChem (CID 167973623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).