N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine

C12H21N7 — CID 125422138

IUPACN-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine
SMILESCCN(Cc1nnnn1C(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C12H21N7/c1-6-18(10-7-13-17(5)8-10)9-11-14-15-16-19(11)12(2,3)4/h7-8H,6,9H2,1-5H3
InChIKeyUMQKJCRMYDPQOY-UHFFFAOYSA-N
MW263.35 g/mol
LogP1.19
Rot. Bonds4

About N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine

N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine (PubChem CID 125422138) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine
PubChem CID125422138
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC NameN-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine
SMILESCCN(Cc1nnnn1C(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C12H21N7/c1-6-18(10-7-13-17(5)8-10)9-11-14-15-16-19(11)12(2,3)4/h7-8H,6,9H2,1-5H3
InChIKeyUMQKJCRMYDPQOY-UHFFFAOYSA-N
XLogP1.19
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine (CID 125422138) is N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine is CCN(Cc1nnnn1C(C)(C)C)c1cnn(C)c1.
What is the InChIKey of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine?
The InChIKey is UMQKJCRMYDPQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7/c1-6-18(10-7-13-17(5)8-10)9-11-14-15-16-19(11)12(2,3)4/h7-8H,6,9H2,1-5H3.
What are the key properties of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine?
N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine has a molecular weight of 263.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 125422138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).