1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine

C7H16N8 — CID 104884896

IUPAC1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine
SMILESCCC/N=C(\NN)NC(C)c1nn[nH]n1
InChIInChI=1S/C7H16N8/c1-3-4-9-7(11-8)10-5(2)6-12-14-15-13-6/h5H,3-4,8H2,1-2H3,(H2,9,10,11)(H,12,13,14,15)
InChIKeyHYYHUTJJGKQQCA-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.92
Rot. Bonds4

About 1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine

1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine (PubChem CID 104884896) has the molecular formula C7H16N8 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine
PubChem CID104884896
Molecular FormulaC7H16N8
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC Name1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine
SMILESCCC/N=C(\NN)NC(C)c1nn[nH]n1
InChIInChI=1S/C7H16N8/c1-3-4-9-7(11-8)10-5(2)6-12-14-15-13-6/h5H,3-4,8H2,1-2H3,(H2,9,10,11)(H,12,13,14,15)
InChIKeyHYYHUTJJGKQQCA-UHFFFAOYSA-N
XLogP-0.92
TPSA116.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 107569502
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide
CID 63176410
1-amino-3-[1-(2-chlorophenyl)ethyl]-2-propylguanidine
CID 116514362
1-amino-3-heptan-2-yl-2-propylguanidine
CID 104885589
N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide
CID 65426546
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
1-amino-3-[1-(4-fluorophenyl)propan-2-yl]-2-propylguanidine
CID 116515009
1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 80597791
1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine
CID 116515035
N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine
CID 71211357
2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 66477311

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine (CID 104884896) is 1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine is CCC/N=C(\NN)NC(C)c1nn[nH]n1.
What is the InChIKey of 1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
The InChIKey is HYYHUTJJGKQQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N8/c1-3-4-9-7(11-8)10-5(2)6-12-14-15-13-6/h5H,3-4,8H2,1-2H3,(H2,9,10,11)(H,12,13,14,15).
What are the key properties of 1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine has a molecular weight of 212.26 g/mol, XLogP of -0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 104884896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).