1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine

C15H24N10 — CID 60565467

IUPAC1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine
SMILESCC1CN(Cc2nnnn2C2CC2)CCN1Cc1nnnn1C1CC1
InChIInChI=1S/C15H24N10/c1-11-8-22(9-14-16-18-20-24(14)12-2-3-12)6-7-23(11)10-15-17-19-21-25(15)13-4-5-13/h11-13H,2-10H2,1H3
InChIKeyYTBWPWVHPLDPHX-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.04
Rot. Bonds6

About 1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine

1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine (PubChem CID 60565467) has the molecular formula C15H24N10 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine
PubChem CID60565467
Molecular FormulaC15H24N10
Molecular Weight344.43 g/mol
Exact Mass344.22
IUPAC Name1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine
SMILESCC1CN(Cc2nnnn2C2CC2)CCN1Cc1nnnn1C1CC1
InChIInChI=1S/C15H24N10/c1-11-8-22(9-14-16-18-20-24(14)12-2-3-12)6-7-23(11)10-15-17-19-21-25(15)13-4-5-13/h11-13H,2-10H2,1H3
InChIKeyYTBWPWVHPLDPHX-UHFFFAOYSA-N
XLogP0.04
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 37268796
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
CID 858492
methyl 4-[(3S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-3-methylpiperazin-1-yl]benzoate
CID 52513540
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63312298
(4aR,8aS)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 94083773
1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120774569
5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 87023145
1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490901
1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 55551241
3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid
CID 81048225
4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97085016

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine?
The IUPAC name of 1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine (CID 60565467) is 1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine.
What is the SMILES notation for 1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine?
The canonical SMILES for 1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine is CC1CN(Cc2nnnn2C2CC2)CCN1Cc1nnnn1C1CC1.
What is the InChIKey of 1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine?
The InChIKey is YTBWPWVHPLDPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N10/c1-11-8-22(9-14-16-18-20-24(14)12-2-3-12)6-7-23(11)10-15-17-19-21-25(15)13-4-5-13/h11-13H,2-10H2,1H3.
What are the key properties of 1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine?
1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine has a molecular weight of 344.43 g/mol, XLogP of 0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine is sourced from PubChem (CID 60565467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).