2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine

C10H21N7 — CID 63151988

IUPAC2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(c2nnnn2C)CC1
InChIInChI=1S/C10H21N7/c1-9(7-11)8-16-3-5-17(6-4-16)10-12-13-14-15(10)2/h9H,3-8,11H2,1-2H3
InChIKeyGFCZRSKSDQBHAO-UHFFFAOYSA-N
MW239.33 g/mol
LogP-1.07
Rot. Bonds4

About 2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine

2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine (PubChem CID 63151988) has the molecular formula C10H21N7 and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine
PubChem CID63151988
Molecular FormulaC10H21N7
Molecular Weight239.33 g/mol
Exact Mass239.19
IUPAC Name2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(c2nnnn2C)CC1
InChIInChI=1S/C10H21N7/c1-9(7-11)8-16-3-5-17(6-4-16)10-12-13-14-15(10)2/h9H,3-8,11H2,1-2H3
InChIKeyGFCZRSKSDQBHAO-UHFFFAOYSA-N
XLogP-1.07
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine (CID 63151988) is 2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine is CC(CN)CN1CCN(c2nnnn2C)CC1.
What is the InChIKey of 2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is GFCZRSKSDQBHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N7/c1-9(7-11)8-16-3-5-17(6-4-16)10-12-13-14-15(10)2/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine?
2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 239.33 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 63151988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).