N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride

C6H14ClN5 — CID 3031917

IUPACN-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride
SMILESCCNc1nnnn1C(C)C.Cl
InChIInChI=1S/C6H13N5.ClH/c1-4-7-6-8-9-10-11(6)5(2)3;/h5H,4H2,1-3H3,(H,7,8,10);1H
InChIKeyIXDGEKAMJQWERK-UHFFFAOYSA-N
MW191.67 g/mol
LogP1.11
Rot. Bonds3

About N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride

N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride (PubChem CID 3031917) has the molecular formula C6H14ClN5 and a molecular weight of 191.67 g/mol. Its IUPAC name is N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride
PubChem CID3031917
Molecular FormulaC6H14ClN5
Molecular Weight191.67 g/mol
Exact Mass191.09
IUPAC NameN-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride
SMILESCCNc1nnnn1C(C)C.Cl
InChIInChI=1S/C6H13N5.ClH/c1-4-7-6-8-9-10-11(6)5(2)3;/h5H,4H2,1-3H3,(H,7,8,10);1H
InChIKeyIXDGEKAMJQWERK-UHFFFAOYSA-N
XLogP1.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.67
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride?
The IUPAC name of N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride (CID 3031917) is N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride.
What is the SMILES notation for N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride?
The canonical SMILES for N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride is CCNc1nnnn1C(C)C.Cl.
What is the InChIKey of N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride?
The InChIKey is IXDGEKAMJQWERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5.ClH/c1-4-7-6-8-9-10-11(6)5(2)3;/h5H,4H2,1-3H3,(H,7,8,10);1H.
What are the key properties of N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride?
N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride has a molecular weight of 191.67 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propan-2-yltetrazol-5-amine;hydrochloride is sourced from PubChem (CID 3031917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).