N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine

C10H17N7 — CID 103571505

IUPACN-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCCCn1cc(CNC(C)c2nn[nH]n2)cn1
InChIInChI=1S/C10H17N7/c1-3-4-17-7-9(6-12-17)5-11-8(2)10-13-15-16-14-10/h6-8,11H,3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyPOGYTHMBMBJBKB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.66
Rot. Bonds6

About N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine

N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (PubChem CID 103571505) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
PubChem CID103571505
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCCCn1cc(CNC(C)c2nn[nH]n2)cn1
InChIInChI=1S/C10H17N7/c1-3-4-17-7-9(6-12-17)5-11-8(2)10-13-15-16-14-10/h6-8,11H,3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyPOGYTHMBMBJBKB-UHFFFAOYSA-N
XLogP0.66
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (CID 103571505) is N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine is CCCn1cc(CNC(C)c2nn[nH]n2)cn1.
What is the InChIKey of N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The InChIKey is POGYTHMBMBJBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-3-4-17-7-9(6-12-17)5-11-8(2)10-13-15-16-14-10/h6-8,11H,3-5H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine has a molecular weight of 235.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine is sourced from PubChem (CID 103571505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).