1-propyl-1-(2H-tetrazol-5-yl)guanidine

C5H11N7 — CID 68907387

IUPAC1-propyl-1-(2H-tetrazol-5-yl)guanidine
SMILES[H]/N=C(\N)N(CCC)c1nn[nH]n1
InChIInChI=1S/C5H11N7/c1-2-3-12(4(6)7)5-8-10-11-9-5/h2-3H2,1H3,(H3,6,7)(H,8,9,10,11)
InChIKeyVPJGQDRNSTZKJS-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.69
Rot. Bonds3

About 1-propyl-1-(2H-tetrazol-5-yl)guanidine

1-propyl-1-(2H-tetrazol-5-yl)guanidine (PubChem CID 68907387) has the molecular formula C5H11N7 and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-propyl-1-(2H-tetrazol-5-yl)guanidine.

Molecular Properties

Compound Name1-propyl-1-(2H-tetrazol-5-yl)guanidine
PubChem CID68907387
Molecular FormulaC5H11N7
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name1-propyl-1-(2H-tetrazol-5-yl)guanidine
SMILES[H]/N=C(\N)N(CCC)c1nn[nH]n1
InChIInChI=1S/C5H11N7/c1-2-3-12(4(6)7)5-8-10-11-9-5/h2-3H2,1H3,(H3,6,7)(H,8,9,10,11)
InChIKeyVPJGQDRNSTZKJS-UHFFFAOYSA-N
XLogP-0.69
TPSA107.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(propan-2-yl)-2H-1,2,3,4-tetrazol-5-amine
CID 223450
N,N-dibutyl-2H-tetrazol-5-amine
CID 223455
N,N-bis(2-methylpropyl)-2H-tetrazol-5-amine
CID 223456
3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine
CID 72950776
3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine
CID 72950780
5-(Diethylamino)tetrazole
CID 223445
N-butyl-2H-tetrazol-5-amine
CID 12257253
3-(1-(1H-tetrazol-5-yl)hydrazinyl)-N,N-dimethylpropan-1-amine
CID 72950777
1-propyl-1-(2H-tetrazol-5-yl)hydrazine
CID 72950952
1-(2-methylpropyl)-1-(2H-tetrazol-5-yl)hydrazine
CID 72950955
N,N-dipropyl-2H-tetrazol-5-amine
CID 44207393
N-ethyl-N-methyl-2H-tetrazol-5-amine
CID 59020757

Frequently Asked Questions

What is the IUPAC name of 1-propyl-1-(2H-tetrazol-5-yl)guanidine?
The IUPAC name of 1-propyl-1-(2H-tetrazol-5-yl)guanidine (CID 68907387) is 1-propyl-1-(2H-tetrazol-5-yl)guanidine.
What is the SMILES notation for 1-propyl-1-(2H-tetrazol-5-yl)guanidine?
The canonical SMILES for 1-propyl-1-(2H-tetrazol-5-yl)guanidine is [H]/N=C(\N)N(CCC)c1nn[nH]n1.
What is the InChIKey of 1-propyl-1-(2H-tetrazol-5-yl)guanidine?
The InChIKey is VPJGQDRNSTZKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N7/c1-2-3-12(4(6)7)5-8-10-11-9-5/h2-3H2,1H3,(H3,6,7)(H,8,9,10,11).
What are the key properties of 1-propyl-1-(2H-tetrazol-5-yl)guanidine?
1-propyl-1-(2H-tetrazol-5-yl)guanidine has a molecular weight of 169.19 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1-(2H-tetrazol-5-yl)guanidine is sourced from PubChem (CID 68907387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).